Geometry & MOs

Info

ID:

173490

PubChem CID:

75644021

Reduced:

SN4O5C18H19 (1)

Stoich.:

AB4C5D18E19 (1)

Weight, g/mol:

405.123266

ΔHf, kcal/mol:

-25.51

Dipole, Da:

4.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.147258

Charge, e:

 -1

Chem-info

IUPAC name:

5-(diethylamino)-2-[[(4-methyl-3-nitrophenyl)sulfonylhydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)[N-]N=CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations