Geometry & MOs
Info
ID: |
84742 |
PubChem CID: |
49869553 |
Reduced: |
NO2C15H15 (1) |
Stoich.: |
AB2C15D15 (1) |
Weight, g/mol: |
800.313824 |
ΔHf, kcal/mol: |
-41.19 |
Dipole, Da: |
4.88 |
IP(EA), eV: |
-9.39(-0.55) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(2S)-1-[(2S)-2-[5-[8-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thianthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate