Geometry & MOs

Info

ID:	394543
PubChem CID:	135023159
Reduced:	O3H8C13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	419.076692
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	9.79
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(Z)-1-hydroxy-3-oxo-1-(2-oxochromen-3-yl)but-1-en-2-yl]-4-oxo-2,3-dihydrochromene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(C(=C1)C(=O)C3=CC=CC=C3O)C4=C(C=CC5=CC=CC=C54)OC2=O)O

DOS

IR

Vibrations