Geometry & MOs

Info

ID:	154857
PubChem CID:	56314400
Reduced:	SN2F3O5C19H27 (1)
Stoich.:	AB2C3D5E19F27 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	-355.66
Dipole, Da:	5.79
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(2-piperidin-1-ylpyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC)S(=O)(=O)C

DOS

IR

Vibrations