Geometry & MOs

Info

ID:	36364
PubChem CID:	8002395
Reduced:	ClS2O3N4C15H17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	9.73
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C3CC3

DOS

IR

Vibrations