Geometry & MOs

Info

ID:	31337
PubChem CID:	855593
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	347.109233
ΔH_f, kcal/mol:	3.69
Dipole, Da:	6.06
IP(EA), eV:	-9.02(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3CCCC3)C#N

DOS

IR

Vibrations