Geometry & MOs

Info

ID:	86996
PubChem CID:	49890391
Reduced:	FNSCl2O5H16C21 (1)
Stoich.:	ABCD2E5F16G21 (1)
Weight, g/mol:	618.86114
ΔH_f, kcal/mol:	-203.66
Dipole, Da:	3.82
IP(EA), eV:	-9.6(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-diiodo-4-prop-2-ynoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations