Geometry & MOs

Info

ID:	143711
PubChem CID:	53252206
Reduced:	FOSN4H5C12 (1)
Stoich.:	ABCD4E5F12 (1)
Weight, g/mol:	419.061902
ΔH_f, kcal/mol:	66.96
Dipole, Da:	2.13
IP(EA), eV:	-9.93(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C2=NN=C(O2)C3=CC=C(S3)C#N)F

DOS

IR

Vibrations