Conformational analysis of compound 15

Marvin conformers + xTB-siman => DFT/PBE/L1 => DFT/PBE/L22


On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

0.00 0.00 0.11 0.11 0.32 0.32 0.78 0.78 1.29 1.29 2.68 2.68 2.78 2.78 3.15 3.15 3.42 3.42 3.44 3.44 3.46 3.46 3.71 3.71 4.12 4.12 4.76 4.76 5.24 5.24 5.52 5.52 5.56 5.56 6.25 6.25

20.11.218