Geometry & MOs

Info

ID:	67840
PubChem CID:	46507280
Reduced:	NSCl2F2O3H7C15 (1)
Stoich.:	ABC2D2E3F7G15 (1)
Weight, g/mol:	388.949176
ΔH_f, kcal/mol:	-165.02
Dipole, Da:	6.87
IP(EA), eV:	-9.84(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C2=CNC3=CC(=C(C=C3C2=O)F)Cl)Cl)F

DOS

IR

Vibrations