Geometry & MOs

Info

ID:	272595
PubChem CID:	103749739
Reduced:	NO2S2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	3.78
IP(EA), eV:	-8.82(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-2-(2-methylbutylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCC(C)CSCCS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations