Geometry & MOs

Info

ID:	129551
PubChem CID:	51073067
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-10.28
Dipole, Da:	6.84
IP(EA), eV:	-8.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylbutan-2-yl)-2-quinolin-8-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations