Geometry & MOs

Info

ID:	153696
PubChem CID:	56312990
Reduced:	SF3N3O3C23H24 (1)
Stoich.:	AB3C3D3E23F24 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-235.48
Dipole, Da:	6.94
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4)NC1=O

DOS

IR

Vibrations