Geometry & MOs

Info

ID:	86640
PubChem CID:	49888050
Reduced:	NSCl2O3H19C28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	418.002635
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	5.8
IP(EA), eV:	-8.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OCC5=CC=CC=C5Cl

DOS

IR

Vibrations