Geometry & MOs

Info

ID:	253002
PubChem CID:	103115388
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	252.068097
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	8.31
IP(EA), eV:	-9.66(-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-ethyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCCCCO)C(=O)O

DOS

IR

Vibrations