Geometry & MOs

Info

ID:	356453
PubChem CID:	127291526
Reduced:	SO3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	324.136845
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	5.67
IP(EA), eV:	-9.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)S(=O)(=O)C3=CC4=C(N=C3)ON=C4C

DOS

IR

Vibrations