Geometry & MOs

Info

ID:	254266
PubChem CID:	103123813
Reduced:	ClSN2O2H7C8 (1)
Stoich.:	ABC2D2E7F8 (1)
Weight, g/mol:	292.11471
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	6.63
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-piperidin-4-yl-1-(2,2,2-trifluoroethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)CS(=O)(=O)Cl

DOS

IR

Vibrations