Geometry & MOs

Info

ID:	168074
PubChem CID:	74920782
Reduced:	ClFNO4H23C27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	485.220223
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	10.6
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-3-(4-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]-N-[2-(3-methoxyphenyl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3=CC(=C(C=C3)F)Cl)C)C(=CO2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations