Geometry & MOs

Info

ID:	253011
PubChem CID:	103115461
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	252.068097
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	5.37
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC(C)(C)O)C(=O)OC

DOS

IR

Vibrations