Geometry & MOs

Info

ID:	12926
PubChem CID:	148453
Reduced:	SBr4O6H8C19 (1)
Stoich.:	AB4C6D8E19 (1)
Weight, g/mol:	683.67341
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	6.68
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2',4',5',7'-tetrabromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',6'-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)Br)Br)O)Br)OS2(=O)=O

DOS

IR

Vibrations