Geometry & MOs
Info
ID: |
427848 |
PubChem CID: |
135164297 |
Reduced: |
O3C19H26 (1) |
Stoich.: |
A3B19C26 (1) |
Weight, g/mol: |
670.27828 |
ΔHf, kcal/mol: |
-127.11 |
Dipole, Da: |
9.66 |
IP(EA), eV: |
-9.62(-0.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[(3S,5S)-5-(4-aminopiperidin-1-yl)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine-2-carbonyl]amino]benzoic acid