Geometry & MOs
Info
ID: |
320084 |
PubChem CID: |
126658156 |
Reduced: |
NC21H33 (1) |
Stoich.: |
AB21C33 (1) |
Weight, g/mol: |
990.54798 |
ΔHf, kcal/mol: |
51.68 |
Dipole, Da: |
2.94 |
IP(EA), eV: |
-8.27(-0.1) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[4-(4-phenylpiperidin-1-yl)phenyl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate