Geometry & MOs

Info

ID:	78971
PubChem CID:	49742910
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CSC=C3

DOS

IR

Vibrations