Geometry & MOs

Info

ID:	168077
PubChem CID:	74920988
Reduced:	NO4C29H29 (1)
Stoich.:	AB4C29D29 (1)
Weight, g/mol:	479.129964
ΔH_f, kcal/mol:	-81.6
Dipole, Da:	3.86
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C=C(C)C2=C(C(=C3C(=C2)C(=CO3)C4=CC(=CC=C4)OC)C)OC

DOS

IR

Vibrations