Geometry & MOs

Info

ID:

2810

PubChem CID:

8626

Reduced:

N2Na4S5O14H28C30 (1)

Stoich.:

A2B4C5D14E28F30 (1)

Weight, g/mol:

891.973487

ΔHf, kcal/mol:

-742.14

Dipole, Da:

20.75

IP(EA), eV:

 -8.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(CC(C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations