Geometry & MOs

Info

ID:	371830
PubChem CID:	131273907
Reduced:	SO2N4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	222.021147
ΔH_f, kcal/mol:	16.25
Dipole, Da:	1.87
IP(EA), eV:	-10.14(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=NC=N2)C(=O)O

DOS

IR

Vibrations