Geometry & MOs

Info

ID:	86932
PubChem CID:	49890036
Reduced:	FSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	441.141008
ΔH_f, kcal/mol:	-181.68
Dipole, Da:	2.96
IP(EA), eV:	-9.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations