Geometry & MOs

Info

ID:	368171
PubChem CID:	127327722
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-38.3
Dipole, Da:	6.0
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylpiperidine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=NC=CS2)NS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations