Geometry & MOs

Info

ID:

1448

PubChem CID:

4466

Reduced:

N4S6O21H26C35 (1)

Stoich.:

A4B6C21D26E35 (1)

Weight, g/mol:

1029.941381

ΔHf, kcal/mol:

-708.81

Dipole, Da:

2.99

IP(EA), eV:

 -9.39(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[3-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations