Geometry & MOs

Info

ID:	188513
PubChem CID:	77726270
Reduced:	F3N3O4H12C17 (1)
Stoich.:	A3B3C4D12E17 (1)
Weight, g/mol:	463.065179
ΔH_f, kcal/mol:	-201.44
Dipole, Da:	5.02
IP(EA), eV:	-9.53(-3.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxy-(2-carboxy-4-oxo-4aH-quinoline-7-carbonyl)amino]-4-oxo-3H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=O)N=C2C=C(C(=CC2=N1)N3C=CC(=O)C=C3)C(F)(F)F

DOS

IR

Vibrations