Geometry & MOs

Info

ID:	320482
PubChem CID:	126661324
Reduced:	NSO2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	366.149891
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	2.92
IP(EA), eV:	-9.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-3-[3-(3-chlorophenyl)-5-cyano-2-methylphenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CS(=O)(=O)C)C#N

DOS

IR

Vibrations