Geometry & MOs

Info

ID:	31459
PubChem CID:	855747
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	18.28
Dipole, Da:	6.79
IP(EA), eV:	-8.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)N)C#N)C

DOS

IR

Vibrations