Geometry & MOs

Info

ID:	7460
PubChem CID:	72753
Reduced:	Br2O5H10C20 (1)
Stoich.:	A2B5C10D20 (1)
Weight, g/mol:	489.88745
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	12.53
IP(EA), eV:	-9.14(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br)C(=O)O

DOS

IR

Vibrations