Geometry & MOs

Info

ID:	67865
PubChem CID:	46507323
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	354.988148
ΔH_f, kcal/mol:	-61.27
Dipole, Da:	4.7
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-fluoro-3-(3-fluorophenyl)sulfonyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)N4CCCCC4

DOS

IR

Vibrations