Geometry & MOs

Info

ID:

9491

PubChem CID:

90058

Reduced:

SN2O4H11C16 (1)

Stoich.:

AB2C4D11E16 (1)

Weight, g/mol:

327.043953

ΔHf, kcal/mol:

-32.89

Dipole, Da:

5.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.267578

Charge, e:

 1

Chem-info

IUPAC name:

1-hydroxy-5-phenoxysulfonylnaphthalene-2-diazonium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3O)[N+]#N

DOS

IR

Vibrations