Geometry & MOs

Info

ID:	54582
PubChem CID:	17388938
Reduced:	ClNSO4H14C18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	329.052193
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	2.08
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=O)S2)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations