Geometry & MOs

Info

ID:	253009
PubChem CID:	103115453
Reduced:	SO3N5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	2.92
IP(EA), eV:	-9.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations