Geometry & MOs

Info

ID:	168037
PubChem CID:	74914794
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	445.168936
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	4.11
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)NC(=O)C)C2=C(C=C3C(=C2)C(=CO3)C4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations