Geometry & MOs
Info
ID: |
315860 |
PubChem CID: |
126629128 |
Reduced: |
O5C6H12 (1) |
Stoich.: |
A5B6C12 (1) |
Weight, g/mol: |
581.321334 |
ΔHf, kcal/mol: |
-235.07 |
Dipole, Da: |
1.68 |
IP(EA), eV: |
-10.41(1.16) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-1-[2-[[(2S)-2-[[(E)-4-[2-[(1R)-1-hydroxyethyl]-3-methylquinolin-7-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid