Geometry & MOs

Info

ID:	31458
PubChem CID:	855746
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	3.5
Dipole, Da:	5.17
IP(EA), eV:	-8.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N

DOS

IR

Vibrations