Geometry & MOs

Info

ID:	359190
PubChem CID:	127297607
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	364.182064
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	3.99
IP(EA), eV:	-9.54(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations