Geometry & MOs

Info

ID:	153261
PubChem CID:	56312430
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	420.127441
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	5.05
IP(EA), eV:	-8.67(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations