Geometry & MOs

Info

ID:	347773
PubChem CID:	127272835
Reduced:	FSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	398.17879
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	4.18
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(5-fluoropyridin-3-yl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations