Geometry & MOs

Info

ID:	168025
PubChem CID:	74914279
Reduced:	ClNO3H24C27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	457.188923
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	4.94
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4=CC(=C(C=C4)C)Cl)C)OC

DOS

IR

Vibrations