Geometry & MOs

Info

ID:	87240
PubChem CID:	49893411
Reduced:	NSCl3O4H14C24 (1)
Stoich.:	ABC3D4E14F24 (1)
Weight, g/mol:	522.047477
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	5.14
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations