Geometry & MOs

Info

ID:	86547
PubChem CID:	49886986
Reduced:	NSO2F3H12C18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	565.09224
ΔH_f, kcal/mol:	-175.69
Dipole, Da:	4.33
IP(EA), eV:	-9.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3C(F)(F)F)/SC2=O

DOS

IR

Vibrations