Geometry & MOs

Info

ID:

882

PubChem CID:

3481

Reduced:

N2S3O18C24H36 (1)

Stoich.:

A2B3C18D24E36 (1)

Weight, g/mol:

736.112526

ΔHf, kcal/mol:

-738.98

Dipole, Da:

5.7

IP(EA), eV:

 -9.34(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,4,5,6-pentahydroxy-1-[4-[4-[(2,3,4,5,6-pentahydroxy-1-sulfohexyl)amino]phenyl]sulfonylanilino]hexane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(C(C(C(C(CO)O)O)O)O)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(C(C(C(C(CO)O)O)O)O)S(=O)(=O)O

DOS

IR

Vibrations