Geometry & MOs

Info

ID:	154646
PubChem CID:	56314131
Reduced:	N2F3O5C19H27 (1)
Stoich.:	A2B3C5D19E27 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-358.0
Dipole, Da:	3.31
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-ethylsulfonylpiperazin-1-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)NCCCOC)C(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC

DOS

IR

Vibrations