Geometry & MOs

Info

ID:	88482
PubChem CID:	49903711
Reduced:	ClN2S2O7H15C23 (1)
Stoich.:	AB2C2D7E15F23 (1)
Weight, g/mol:	491.078721
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	2.93
IP(EA), eV:	-9.32(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)Cl)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations