Geometry & MOs

Info

ID:	152834
PubChem CID:	56311911
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	454.088469
ΔH_f, kcal/mol:	-66.05
Dipole, Da:	2.83
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations