Geometry & MOs
Info
ID: |
230576 |
PubChem CID: |
87571419 |
Reduced: |
PO2C8H19 (2) |
Stoich.: |
AB2C8D19 (2) |
Weight, g/mol: |
918.491608 |
ΔHf, kcal/mol: |
-276.15 |
Dipole, Da: |
18.69 |
IP(EA), eV: |
-8.74(0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid