Geometry & MOs

Info

ID:	357710
PubChem CID:	127294384
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	345.208613
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	3.99
IP(EA), eV:	-8.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpiperidin-2-yl)methyl]-4-(oxolan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations