Geometry & MOs

Info

ID:	359141
PubChem CID:	127297558
Reduced:	OSN2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	356.213364
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	7.6
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohexylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations