Geometry & MOs

Info

ID:	67801
PubChem CID:	46507194
Reduced:	FNSCl2O3H8C15 (1)
Stoich.:	ABCD2E3F8G15 (1)
Weight, g/mol:	344.002241
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	7.31
IP(EA), eV:	-9.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC=C(C2=O)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations