Geometry & MOs

Info

ID:	1267
PubChem CID:	4069
Reduced:	HgBr2O5H9C20 (1)
Stoich.:	AB2C5D9E20 (1)
Weight, g/mol:	690.85027
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	9.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.849254
Charge, e:	0

Chem-info

IUPAC name:

[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)O)[Hg])Br)C(=O)O

DOS

IR

Vibrations