Geometry & MOs

Info

ID:	253010
PubChem CID:	103115456
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	6.95
IP(EA), eV:	-9.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCCCO)C(=O)OC

DOS

IR

Vibrations