Geometry & MOs

Info

ID:	67835
PubChem CID:	46507266
Reduced:	FS2N3O3H22C24 (1)
Stoich.:	AB2C3D3E22F24 (1)
Weight, g/mol:	321.027121
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	1.12
IP(EA), eV:	-8.68(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(SC=C2C3=CC(=CC=C3)F)C(=O)N4C(=CC(=N4)C)C

DOS

IR

Vibrations