Geometry & MOs

Info

ID:	11294
PubChem CID:	113350
Reduced:	NaSN2O6H15C21 (1)
Stoich.:	ABC2D6E15F21 (1)
Weight, g/mol:	446.054852
ΔH_f, kcal/mol:	-217.26
Dipole, Da:	9.58
IP(EA), eV:	-8.56(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations