Geometry & MOs
Info
ID: |
231001 |
PubChem CID: |
87572430 |
Reduced: |
O3S4C7H18 (1) |
Stoich.: |
A3B4C7D18 (1) |
Weight, g/mol: |
953.552731 |
ΔHf, kcal/mol: |
-157.44 |
Dipole, Da: |
3.5 |
IP(EA), eV: |
-8.97(-0.2) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S)-1-[(2S)-2-[5-[4-[(2R,5R)-1-(4-tert-butylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid