Geometry & MOs

Info

ID:	124128
PubChem CID:	50872823
Reduced:	BrCl2N2O3H15C23 (1)
Stoich.:	AB2C2D3E15F23 (1)
Weight, g/mol:	317.018036
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	2.0
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl)/C(=O)N2

DOS

IR

Vibrations