Geometry & MOs

Info

ID:	86797
PubChem CID:	49889386
Reduced:	FNSO6H16C20 (1)
Stoich.:	ABCD6E16F20 (1)
Weight, g/mol:	449.00966
ΔH_f, kcal/mol:	-223.81
Dipole, Da:	7.68
IP(EA), eV:	-9.5(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-propoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations