Geometry & MOs

Info

ID:	196864
PubChem CID:	78888991
Reduced:	FSO2N4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	8.99
IP(EA), eV:	-8.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(3-ethoxyphenyl)-N-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations