Geometry & MOs

Info

ID:	124132
PubChem CID:	50872843
Reduced:	NO2H8C11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	441.143236
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	5.1
IP(EA), eV:	-8.66(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations