Geometry & MOs

Info

ID:

12621

PubChem CID:

141959

Reduced:

NSO2H6C7 (1)

Stoich.:

ABC2D6E7 (1)

Weight, g/mol:

168.011925

ΔHf, kcal/mol:

-29.78

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.047797

Charge, e:

 1

Chem-info

IUPAC name:

[1,3]thiazolo[3,2-a]pyridin-4-ium-3,8-diol

Drug info:

PubChemData

Smile

C1=CC(=C2[N+](=C1)C(=CS2)O)O

DOS

IR

Vibrations