Geometry & MOs

Info

ID:	86833
PubChem CID:	49889584
Reduced:	ISCl2N2O5H19C26 (1)
Stoich.:	ABC2D2E5F19G26 (1)
Weight, g/mol:	670.89244
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	3.58
IP(EA), eV:	-8.91(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-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=C(C=C(C=C3)Cl)Cl)I)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations