Geometry & MOs
Info
ID: |
325775 |
PubChem CID: |
126684890 |
Reduced: |
NC2H3 (4) |
Stoich.: |
AB2C3 (4) |
Weight, g/mol: |
894.479232 |
ΔHf, kcal/mol: |
92.91 |
Dipole, Da: |
6.89 |
IP(EA), eV: |
-10.23(-0.76) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[(2S)-2-[6-[(5E)-5-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-4,7-dimethylidene-11-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate