Geometry & MOs

Info

ID:

9555

PubChem CID:

90904

Reduced:

S2N4O4C21H21 (1)

Stoich.:

A2B4C4D21E21 (1)

Weight, g/mol:

457.100423

ΔHf, kcal/mol:

-44.21

Dipole, Da:

7.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.796059

Charge, e:

 1

Chem-info

IUPAC name:

3-[(2-ethylphenyl)sulfamoyl]-4-[(4-methylphenyl)sulfonylamino]benzenediazonium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+]#N)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations