Geometry & MOs

Info

ID:

16848

PubChem CID:

477585

Reduced:

S3O9H10C15 (2)

Stoich.:

A3B9C10D15 (2)

Weight, g/mol:

859.897391

ΔHf, kcal/mol:

-600.03

Dipole, Da:

4.23

IP(EA), eV:

 -10.02(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[5-(6,8-disulfonaphthalen-2-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=C2S(=O)(=O)OC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)OC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations