Geometry & MOs

Info

ID:

438084

PubChem CID:

135227655

Reduced:

SN4O4H5C8 (1)

Stoich.:

AB4C4D5E8 (1)

Weight, g/mol:

254.010976

ΔHf, kcal/mol:

-37.14

Dipole, Da:

3.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772329

Charge, e:

 0

Chem-info

IUPAC name:

3-sulfino-6-(1,2,4-triazol-1-yl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1S(=O)[O-])C(=O)O)N2C=NC=N2

DOS

IR

Vibrations