Geometry & MOs

Info

ID:	153790
PubChem CID:	56313101
Reduced:	SF3N3O3C22H28 (1)
Stoich.:	AB3C3D3E22F28 (1)
Weight, g/mol:	499.201968
ΔH_f, kcal/mol:	-241.88
Dipole, Da:	5.27
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations