Geometry & MOs

Info

ID:

53509

PubChem CID:

14716395

Reduced:

S3N6O16H28C46 (1)

Stoich.:

A3B6C16D28E46 (1)

Weight, g/mol:

1164.79366

ΔHf, kcal/mol:

-184.74

Dipole, Da:

2.99

IP(EA), eV:

 -9.04(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

4-[4-benzoyl-2,3-bis[(7-bromo-3-diazonio-4-hydroxynaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-6-bromo-1-hydroxynaphthalene-2-diazonium

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C=C(C(=C21)[O-])[N+]#N)S(=O)(=O)OC3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4)OS(=O)(=O)C5=C6C=CC=C(C6=C(C(=C5)[N+]#N)[O-])OC)OS(=O)(=O)C7=C8C=CC=C(C8=C(C(=C7)[N+]#N)[O-])OC

DOS

IR

Vibrations