Abstract
CNDO/S method is used to compute the rotatory strengths of L-5-methylpyrrolid-2-one and S-3-methylpyrrolid-2-one, cyclic compounds containing a peptide group. The observed circular dichroism (CD) bands in the regions of 185 and 220 nm corresponded to π → π * and n → π * transitions, respectively. The computed rotatory strengths indicate that nonplanarity of pyrrolidone ring makes a substantial contribution to the CD of compounds under consideration. The comparison of computed and experimental rotatory strengths suggests that both compounds have a nonplanar ring conformation.
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