Geometry & MOs

Info

ID:	86809
PubChem CID:	49889484
Reduced:	FNSO3H20C28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	5.48
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=CC=CC=C3/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations