Geometry & MOs

Info

ID:	6146
PubChem CID:	67196
Reduced:	NSH5O5C7 (2)
Stoich.:	ABC5D5E7 (2)
Weight, g/mol:	429.977687
ΔH_f, kcal/mol:	-355.87
Dipole, Da:	0.22
IP(EA), eV:	-9.02(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid

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

DOS

IR

Vibrations