Geometry & MOs
Info
ID: |
230869 |
PubChem CID: |
87572177 |
Reduced: |
NSi2C17H36 (1) |
Stoich.: |
AB2C17D36 (1) |
Weight, g/mol: |
937.446215 |
ΔHf, kcal/mol: |
-20.62 |
Dipole, Da: |
6.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.806823 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S)-1-[(2S)-2-[5-[4-[(2R,5S)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid