Geometry & MOs

Info

ID:	138905
PubChem CID:	52441236
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	371.092436
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	2.69
IP(EA), eV:	-8.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN(CC(=N2)OC3=CC=CC=C3)C

DOS

IR

Vibrations