Geometry & MOs

Info

ID:	124072
PubChem CID:	50871919
Reduced:	ClN2S2O4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	512.985605
ΔH_f, kcal/mol:	8.98
Dipole, Da:	5.9
IP(EA), eV:	-9.19(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-chlorophenyl)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)[N+](=O)[O-])Cl)/SC1=S

DOS

IR

Vibrations