Geometry & MOs

Info

ID:	368765
PubChem CID:	127330066
Reduced:	ClN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	5.27
IP(EA), eV:	-9.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylsulfonylpiperazin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

C1COCC1COCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations