Geometry & MOs

Info

ID:	359200
PubChem CID:	127297619
Reduced:	SN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	388.10237
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	2.63
IP(EA), eV:	-8.87(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-(4-cyclohexylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations