Geometry & MOs

Info

ID:	68030
PubChem CID:	46507629
Reduced:	FNO2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	9.72
IP(EA), eV:	-8.91(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)O/N=C\1/C(=CC2=CC=CC=C2O1)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations