Geometry & MOs

Info

ID:	169288
PubChem CID:	75084869
Reduced:	N4O5H26C32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	420.076451
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	0.99
IP(EA), eV:	-8.85(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC(C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations