Geometry & MOs

Info

ID:	87043
PubChem CID:	49890924
Reduced:	BrClNSO5H11C18 (1)
Stoich.:	ABCDE5F11G18 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	5.37
IP(EA), eV:	-9.42(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations