Geometry & MOs

Info

ID:	52523
PubChem CID:	12015418
Reduced:	SN2O3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	474.197714
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	3.93
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations