Geometry & MOs

Info

ID:	152835
PubChem CID:	56311912
Reduced:	SCl2N2O3C21H24 (1)
Stoich.:	AB2C2D3E21F24 (1)
Weight, g/mol:	464.07693
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	1.49
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations