Geometry & MOs

Info

ID:	227076
PubChem CID:	87560073
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	417.972774
ΔH_f, kcal/mol:	73.04
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbonochloridoyl-5-[(1,3-dioxo-2-benzofuran-5-yl)oxycarbonyl]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2/C=C/CC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations