Geometry & MOs

Info

ID:	67853
PubChem CID:	46507302
Reduced:	FNSCl3O3H7C15 (1)
Stoich.:	ABCD3E3F7G15 (1)
Weight, g/mol:	404.919626
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	7.32
IP(EA), eV:	-9.72(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)C2=CNC3=CC(=C(C=C3C2=O)F)Cl

DOS

IR

Vibrations