Geometry & MOs

Info

ID:	35382
PubChem CID:	7979789
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	404.122835
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	8.62
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations