Geometry & MOs

Info

ID:	11031
PubChem CID:	110132
Reduced:	BaN2S2O7H12C20 (1)
Stoich.:	AB2C2D7E12F20 (1)
Weight, g/mol:	593.91384
ΔH_f, kcal/mol:	-319.64
Dipole, Da:	15.81
IP(EA), eV:	-9.02(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

barium(2+);3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2]

DOS

IR

Vibrations