Geometry & MOs

Info

ID:	173784
PubChem CID:	75682628
Reduced:	O2S2N5C20H27 (1)
Stoich.:	A2B2C5D20E27 (1)
Weight, g/mol:	233.032422
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	10.83
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3H-quinoline-3,6-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C=NNC(=S)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations