Geometry & MOs

Info

ID:	371291
PubChem CID:	127345492
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	372.091056
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	6.5
IP(EA), eV:	-9.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

C1COCC1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations