Geometry & MOs

Info

ID:	373874
PubChem CID:	131320923
Reduced:	SO2N4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	236.025563
ΔH_f, kcal/mol:	13.86
Dipole, Da:	4.34
IP(EA), eV:	-10.12(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1,2-thiazol-4-yl)-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C2=NC=CN=N2)C(=O)O

DOS

IR

Vibrations