Geometry & MOs

Info

ID:

2783

PubChem CID:

8551

Reduced:

NaSO5H8C14 (1)

Stoich.:

ABC5D8E14 (1)

Weight, g/mol:

310.999014

ΔHf, kcal/mol:

-203.58

Dipole, Da:

7.16

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.854426

Charge, e:

1

Chem-info

IUPAC name:

sodium;9,10-dioxoanthracene-2-sulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations