Geometry & MOs

Info

ID:	87152
PubChem CID:	49892687
Reduced:	SCl2N2O4H14C19 (1)
Stoich.:	AB2C2D4E14F19 (1)
Weight, g/mol:	407.973833
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	3.46
IP(EA), eV:	-9.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)N)Cl)/SC2=O)Cl

DOS

IR

Vibrations