Geometry & MOs
Info
ID: |
319633 |
PubChem CID: |
126656876 |
Reduced: |
OC16H18 (1) |
Stoich.: |
AB16C18 (1) |
Weight, g/mol: |
713.170242 |
ΔHf, kcal/mol: |
78.33 |
Dipole, Da: |
1.29 |
IP(EA), eV: |
-8.56(-0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[4-[5-chloro-2-[(2S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]carbamate