Geometry & MOs

Info

ID:	359157
PubChem CID:	127297574
Reduced:	NO2S2C10H19 (1)
Stoich.:	AB2C2D10E19 (1)
Weight, g/mol:	384.127441
ΔH_f, kcal/mol:	-106.02
Dipole, Da:	4.89
IP(EA), eV:	-8.53(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-(4-cyclohexylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N2CCSCC2

DOS

IR

Vibrations