Geometry & MOs

Info

ID:

2811

PubChem CID:

8627

Reduced:

N2S5O14C30H32 (1)

Stoich.:

A2B5C14D30E32 (1)

Weight, g/mol:

804.04571

ΔHf, kcal/mol:

-486.86

Dipole, Da:

6.01

IP(EA), eV:

 -9.35(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid

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

DOS

IR

Vibrations