Geometry & MOs

Info

ID:	78972
PubChem CID:	49742912
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	7.48
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations