The relative free energies of the optimized conformations along with the Boltzmann distributions for compound 1.
| Conformer | ΔE (kcal mol−1) | Boltzmann distribution (%) |
|---|---|---|
| 1A | 0.000 | 92.5 |
| 1B | 1.488 | 7.5 |
| 1C | 9.948 | 0 |
| 1D | 23.845 | 0 |
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