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A feature of particular value checks for the proper valency of the bonds as the structure is being drawn. An X is placed at the atom with the incorrect valence so that it can be corrected immediately. If an unusual valence is desired, the property of the atom can be changed.

Text can be added and ChemSketch can be used to draw reaction schemes. The drawings can be placed onto the clipboard and pasted into other Windows programs.

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The CNMR program contains a database of 36,000 experimental carbon NMR spectra and the spectrum of other structures can be calculated. By pointing to a peak in the spectrum, the corresponding carbon in the structure is highlighted or by choosing a carbon in the structure, its peak is shown. The spectrum can be displayed either in the resonance decoupled or off-resonance decoupled mode to show the splitting of the peak by the H's. The chemical shifts of most carbons are accurate to ± 3 ppm. The spectrum and the corresponding structure can be used in reports.

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The ACD programs are most valuable to those in the pharmaceutical or other biologically orientated industries, and other chemists needing property and spectral predicting programs. They come with tutorials for quick learning and manuals for more detailed information.

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Fred Turner

The Chemistry Bulletin

November 1996