Geometry & MOs

Info

ID:	356450
PubChem CID:	127291523
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	324.136845
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	8.89
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(COC3)C=C2)C4=NN=C5N4CCC5

DOS

IR

Vibrations