Geometry & MOs

Info

ID:	85866
PubChem CID:	49879799
Reduced:	ClN2O3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	563.85985
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	2.62
IP(EA), eV:	-9.58(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chlorophenyl)-2-cyano-3-(3,5-diiodo-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

DOS

IR

Vibrations