Geometry & MOs
Info
ID: |
320031 |
PubChem CID: |
126658008 |
Reduced: |
NC13H27 (1) |
Stoich.: |
AB13C27 (1) |
Weight, g/mol: |
1008.538558 |
ΔHf, kcal/mol: |
-39.73 |
Dipole, Da: |
1.49 |
IP(EA), eV: |
-8.46(2.83) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[(2S)-2-[6-[(2R,5R)-1-[3-fluoro-4-(4-phenylpiperidin-1-yl)phenyl]-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]carbamate