Geometry & MOs

Info

ID:	87569
PubChem CID:	49895568
Reduced:	SN2O4H22C27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	404.98344
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	3.62
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)OC)/SC2=O

DOS

IR

Vibrations