Geometry & MOs

Info

ID:

7197

PubChem CID:

71506

Reduced:

N2S3O18C24H36 (1)

Stoich.:

A2B3C18D24E36 (1)

Weight, g/mol:

736.112526

ΔHf, kcal/mol:

-737.2

Dipole, Da:

8.9

IP(EA), eV:

 -9.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-2,3,4,5,6-pentahydroxy-1-[4-[4-[[(5R)-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@@H](CO)O)O)O)O)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(C(C(C([C@@H](CO)O)O)O)O)S(=O)(=O)O

DOS

IR

Vibrations