Table 6.

Calculated B3LYP/6-311+G(d,p) Energies ^a, Dipole moments (Debye), relatives Energies^a, (C₁₃-C₁₄-C₁₅-C₁₈) dihedral angle, equilibrium population at 25°C and figures of conformations 1-12 of the 8R, 9R isomer of methyl dodovisate A (2).

Conformer	4	2	5	1	3	8
Figure
E (ua)	−1041.379759	−1041.380966	−1041.379717	−1041.381006	−1041.380144	−1041.378913
Dipole moment	3.65	1.13	3.12	0.98	0.28	3.20
dihedral angle	−112.4°	−111.7	109.5°	110.6°	3.7°	6.0°
ΔE (kJ/mol)	3.27	0.11	3.39	0.00	2.26	5.49
Population (%)	7.8	28.0	7.5	29.2	11.7	3.2
Conformer	11	7	10	6	9	12
Figure
E (ua)	−1041.378027	−1041.379098	−1041.378051	−1041.379135	−1041.378310	−1041.377274
Dipole moment	2.73	1.96	1.93	1.86	1.22	2.61
dihedral angle	−111.8°	−111.7°	109.6°	109.5°	4.9°	4.9°
ΔE (kJ/mol)	7.82	5.01	7.76	4.91	7.08	9.80
Population (%)	1.2	3.9	1.3	4.0	1.7	0.5

^a Include zero-point vibration correction.