Geometry & MOs

Info

ID:

8233

PubChem CID:

75594

Reduced:

SN2O7H15C23 (1)

Stoich.:

AB2C7D15E23 (1)

Weight, g/mol:

463.059997

ΔHf, kcal/mol:

-124.61

Dipole, Da:

5.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.268516

Charge, e:

 1

Chem-info

IUPAC name:

5-(4-benzoyl-2,3-dihydroxyphenoxy)sulfonyl-1-hydroxynaphthalene-2-diazonium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4O)[N+]#N)O)O

DOS

IR

Vibrations