Geometry & MOs

Info

ID:	7367
PubChem CID:	72278
Reduced:	NNaSH4O5C7 (2)
Stoich.:	ABCD4E5F7 (2)
Weight, g/mol:	473.941575
ΔH_f, kcal/mol:	-434.03
Dipole, Da:	0.58
IP(EA), eV:	-8.08(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate

Drug info:

PubChemData

Smile

C1=C(C2=C(C(=C1S(=O)(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)N.[Na+].[Na+]

DOS

IR

Vibrations