Geometry & MOs

Info

ID:	11016
PubChem CID:	109835
Reduced:	NaSN2O7H9C14 (1)
Stoich.:	ABC2D7E9F14 (1)
Weight, g/mol:	372.002816
ΔH_f, kcal/mol:	-272.77
Dipole, Da:	9.43
IP(EA), eV:	-8.25(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4,5-diamino-1,8-dihydroxy-9,10-dioxoanthracene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)O.[Na+]

DOS

IR

Vibrations