Geometry & MOs

Info

ID:	153490
PubChem CID:	56312719
Reduced:	FS2O4N5H14C17 (1)
Stoich.:	AB2C4D5E14F17 (1)
Weight, g/mol:	467.183204
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	2.98
IP(EA), eV:	-9.34(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations