Geometry & MOs

Info

ID:	168073
PubChem CID:	74920781
Reduced:	ClNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	479.129964
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	2.86
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NCC3=CC=C(C=C3)Cl)C)C(=CO2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations