Geometry & MOs
Info
ID: |
37617 |
PubChem CID: |
8022639 |
Reduced: |
SN2O6C18H19 (1) |
Stoich.: |
AB2C6D18E19 (1) |
Weight, g/mol: |
408.132136 |
ΔHf, kcal/mol: |
-195.91 |
Dipole, Da: |
9.62 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.759493 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoic acid