Geometry & MOs

Info

ID:	305772
PubChem CID:	124968853
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	6.69
Dipole, Da:	9.01
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C(=O)N3CCC[C@H](C3)C4=CC=NN4

DOS

IR

Vibrations