Geometry & MOs

Info

ID:	192604
PubChem CID:	78290684
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	4.4
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations