Geometry & MOs

Info

ID:	67859
PubChem CID:	46507310
Reduced:	NO2S2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	354.988148
ΔH_f, kcal/mol:	5.72
Dipole, Da:	3.13
IP(EA), eV:	-8.95(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N=C=S

DOS

IR

Vibrations