Geometry & MOs

Info

ID:	67803
PubChem CID:	46507198
Reduced:	FSN2O3H9C16 (1)
Stoich.:	ABC2D3E9F16 (1)
Weight, g/mol:	324.056863
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	10.53
IP(EA), eV:	-9.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-methyl-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3)F)C#N

DOS

IR

Vibrations