Geometry & MOs

Info

ID:	16946
PubChem CID:	480813
Reduced:	O9H26C32 (1)
Stoich.:	A9B26C32 (1)
Weight, g/mol:	554.157682
ΔH_f, kcal/mol:	-218.44
Dipole, Da:	12.51
IP(EA), eV:	-9.2(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2,4-bis(phenylmethoxy)phenoxy]-4,5-dihydroxy-7-oxochromene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C2C(=CC(=O)C=C2O1)O)O)OC3=C(C=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations