Geometry & MOs

Info

ID:	154295
PubChem CID:	56313708
Reduced:	FN3O4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	410.121275
ΔH_f, kcal/mol:	-136.81
Dipole, Da:	3.14
IP(EA), eV:	-9.39(-1.03)
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-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)N4CCOCC4

DOS

IR

Vibrations