Geometry & MOs

Info

ID:	87106
PubChem CID:	49892154
Reduced:	FSN2O4H25C28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	427.125358
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	2.41
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations