Geometry & MOs

Info

ID:	128762
PubChem CID:	51057277
Reduced:	ClN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	474.90085
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	7.94
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-chlorophenyl)-3-(2,4-dibromo-3,5-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)C4=CC(=CC=C4)Cl)C#N

DOS

IR

Vibrations