Geometry & MOs

Info

ID:	87118
PubChem CID:	49892399
Reduced:	FSCl2N2O5H19C26 (1)
Stoich.:	ABC2D2E5F19G26 (1)
Weight, g/mol:	540.96115
ΔH_f, kcal/mol:	-168.18
Dipole, Da:	7.25
IP(EA), eV:	-8.91(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)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=C3F)Cl)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations