Geometry & MOs

Info

ID:	192605
PubChem CID:	78290827
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	37.41
Dipole, Da:	4.27
IP(EA), eV:	-8.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dimethylphenyl)-3-(4-ethyl-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N

DOS

IR

Vibrations