Geometry & MOs

Info

ID:	78973
PubChem CID:	49742913
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	4.66
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations