Geometry & MOs

Info

ID:	52522
PubChem CID:	12015417
Reduced:	NSSiO4C25H35 (1)
Stoich.:	ABCD4E25F35 (1)
Weight, g/mol:	440.213364
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	5.01
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C1)C(=O)C(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations