Geometry & MOs

Info

ID:	305773
PubChem CID:	124968854
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	3.31
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-phenyl-4-pyridin-3-ylsulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations