Geometry & MOs

Info

ID:

27195

PubChem CID:

819401

Reduced:

NSO2C7H8 (1)

Stoich.:

ABC2D7E8 (1)

Weight, g/mol:

169.01975

ΔHf, kcal/mol:

-51.49

Dipole, Da:

3.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.835057

Charge, e:

 0

Chem-info

IUPAC name:

6-methylsulfanylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC(=C1)S)C(=O)O

DOS

IR

Vibrations