Geometry & MOs

Info

ID:	86584
PubChem CID:	49887428
Reduced:	BrClNSO4H15C21 (1)
Stoich.:	ABCDE4F15G21 (1)
Weight, g/mol:	441.026013
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	3.73
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Br)OCC#C

DOS

IR

Vibrations