Geometry & MOs

Info

ID:	349097
PubChem CID:	127274823
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	350.1334
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	3.6
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylsulfonylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations