Geometry & MOs

Info

ID:	4253
PubChem CID:	11049
Reduced:	Br4O5H8C20 (1)
Stoich.:	A4B5C8D20 (1)
Weight, g/mol:	647.70642
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	10.44
IP(EA), eV:	-9.17(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

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

DOS

IR

Vibrations