Geometry & MOs

Info

ID:	168067
PubChem CID:	74919863
Reduced:	ClNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	461.116064
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	3.07
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dichlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(1-methoxypropan-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C=C(C)C1=C(C(=C2C(=C1)C(=CO2)C3=CC=C(C=C3)Cl)C)OC

DOS

IR

Vibrations