“…The final spectra were generated using the Boltzmann average (based on Gibbs free energies) of the lowest-energy conformers identified for (3S)-1 a and plotted using Origin 8 software. (10), 84 (100), 82 (44), 80 (5), 70 (16), 69 (5), 68 (6), 67 (13), 57 (34), 56 (12), 55 (28), 54 (13), 53 (8). a ½ � 23 D À 0.021 (c 0.0483, methanol).…”