Geometry & MOs

Info

ID:

159885

PubChem CID:

57288854

Reduced:

SN2H5O5C6 (1)

Stoich.:

AB2C5D5E6 (1)

Weight, g/mol:

217.999742

ΔHf, kcal/mol:

-75.23

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.027178

Charge, e:

 0

Chem-info

IUPAC name:

(2-amino-4-nitrophenyl) hydrogen sulfite

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])N)OS(=O)[O-]

DOS

IR

Vibrations