Geometry & MOs

Info

ID:

22382

PubChem CID:

597089

Reduced:

NSO3C9H10 (1)

Stoich.:

ABC3D9E10 (1)

Weight, g/mol:

212.038139

ΔHf, kcal/mol:

-94.38

Dipole, Da:

5.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.016742

Charge, e:

 1

Chem-info

IUPAC name:

8-hydroxy-5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=[N+]2C(CSC2=C(C=C1)O)C(=O)O

DOS

IR

Vibrations