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. 2021 Jun 3;86(12):7946–7954. doi: 10.1021/acs.joc.1c00184

Table 3. Computed Relative Free Energies of the Four Conformers of Ac-(2S)-Ind-OMe, in kcal/mol.

solvent C1 C2 T1 T2 Ktrans/cis
benzene 0.0 0.1 0.4 0.4 0.55
CHCl3 0.0 0.0 0.4 0.3 0.52
CH2Cl2 0.1 0.0 0.5 0.4 0.53
CH3OH 0.3 0.0 0.6 0.5 0.48
CH3CN 0.3 0.0 0.6 0.5 0.48
DMSO 0.3 0.0 0.6 0.5 0.48