Geometry & MOs
Info
ID: |
231054 |
PubChem CID: |
87572526 |
Reduced: |
NSiC21H26 (1) |
Stoich.: |
ABC21D26 (1) |
Weight, g/mol: |
953.552731 |
ΔHf, kcal/mol: |
115.48 |
Dipole, Da: |
1.59 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.793431 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S)-1-[(2S)-2-[5-[4-[(2S,5S)-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