Geometry & MOs

Info

ID:	4252
PubChem CID:	11048
Reduced:	Na2Br4O5H6C20 (1)
Stoich.:	A2B4C5D6E20 (1)
Weight, g/mol:	691.67031
ΔH_f, kcal/mol:	-190.91
Dipole, Da:	6.94
IP(EA), eV:	-8.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations