Geometry & MOs

Info

ID:	87073
PubChem CID:	49891536
Reduced:	INSF2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	436.97327
ΔH_f, kcal/mol:	-140.54
Dipole, Da:	3.17
IP(EA), eV:	-8.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-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=CC=CC=C3F)I)OCC4=CC=CC=C4F

DOS

IR

Vibrations