Geometry & MOs

Info

ID:	86643
PubChem CID:	49888073
Reduced:	BrClNSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	470.91929
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	3.75
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(2-hydroxy-5-iodophenyl)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)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations