Geometry & MOs

Info

ID:	151910
PubChem CID:	56310735
Reduced:	ClON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	418.172642
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	3.72
IP(EA), eV:	-9.13(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(O3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations