The relative free energy of the optimized conformations along with the Boltzmann distributions for compound 2.
| Conformer | ΔE (kcal mol−1) | Boltzmann distribution (%) |
|---|---|---|
| 2A | 1.530 | 6.96 |
| 2B | 0 | 91.91 |
| 2C | 18.508 | 0 |
| 2D | 2.627 | 1.09 |
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