Geometry & MOs

Info

ID:

14585

PubChem CID:

415416

Reduced:

SN2O4C8H11 (1)

Stoich.:

AB2C4D8E11 (1)

Weight, g/mol:

231.043953

ΔHf, kcal/mol:

-138.37

Dipole, Da:

6.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.945027

Charge, e:

 1

Chem-info

IUPAC name:

2-(3-carbamoylpyridin-1-ium-1-yl)ethanesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)CCS(=O)(=O)O)C(=O)N

DOS

IR

Vibrations