Geometry & MOs

Info

ID:	66170
PubChem CID:	46500368
Reduced:	NO2F3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	427.136591
ΔH_f, kcal/mol:	-235.85
Dipole, Da:	5.27
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)COCC(F)(F)F

DOS

IR

Vibrations