Theoretical study of the most stable conformations of NN′-dimethylthiourea, NNN′-trimethylthiourea, and the methyl ester of dithiocarbazic acid
Abstract
CNDO/2 Calculations on NN′-dimethylthiourea, NNN′-trimethylthiourea, and the methyl ester of dithiocarbazic acid are reported. The results are in satisfactory agreement with experimental data (n.m.r. spectra) on the equilibrium conformations found in solutions of these systems.