Geometry & MOs

Info

ID:	54646
PubChem CID:	17389039
Reduced:	ClON3H18C22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	53.99
Dipole, Da:	7.84
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C(/C#N)\C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations