Geometry & MOs

Info

ID:	5562
PubChem CID:	13335
Reduced:	NNaSO4H5C8 (2)
Stoich.:	ABCD4E5F8 (2)
Weight, g/mol:	467.967396
ΔH_f, kcal/mol:	-147.81
Dipole, Da:	38.96
IP(EA), eV:	-4.46(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

disodium;2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O.[Na+].[Na+]

DOS

IR

Vibrations