Geometry & MOs

Info

ID:	253003
PubChem CID:	103115389
Reduced:	SO2N4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	7.41
IP(EA), eV:	-9.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-ethylsulfanylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)O)C2=C(N=C(S2)C)C

DOS

IR

Vibrations