Geometry & MOs

Info

ID:	252996
PubChem CID:	103115360
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	6.04
IP(EA), eV:	-9.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations