Geometry & MOs

Info

ID:	31430
PubChem CID:	855710
Reduced:	OSN2H14C19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	65.44
Dipole, Da:	3.66
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations