Geometry & MOs
Info
ID: |
318555 |
PubChem CID: |
126651885 |
Reduced: |
OSN3C7H7 (1) |
Stoich.: |
ABC3D7E7 (1) |
Weight, g/mol: |
916.517509 |
ΔHf, kcal/mol: |
31.02 |
Dipole, Da: |
2.66 |
IP(EA), eV: |
-8.64(-1.04) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl (2S)-2-[6-[(2R,5R)-5-[2-[(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-3H-benzimidazol-5-yl]-1-(3,5-difluoro-4-piperidin-1-ylphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate