Geometry & MOs

Info

ID:	153585
PubChem CID:	56312839
Reduced:	SN2F3O5C20H23 (1)
Stoich.:	AB2C3D5E20F23 (1)
Weight, g/mol:	466.238019
ΔH_f, kcal/mol:	-330.02
Dipole, Da:	5.87
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations