Geometry & MOs

Info

ID:	31284
PubChem CID:	855526
Reduced:	OSN2H14C19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	347.109233
ΔH_f, kcal/mol:	64.34
Dipole, Da:	5.85
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C#N)SCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations