Geometry & MOs
Info
ID: |
317896 |
PubChem CID: |
126647231 |
Reduced: |
SO2N3C8H9 (1) |
Stoich.: |
AB2C3D8E9 (1) |
Weight, g/mol: |
910.313615 |
ΔHf, kcal/mol: |
-61.65 |
Dipole, Da: |
7.86 |
IP(EA), eV: |
-9.59(-1.33) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(1R)-2-[(2S)-2-[5-[4-[2-fluoro-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenylphenyl]buta-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;dihydrochloride