Geometry & MOs

Info

ID:	88462
PubChem CID:	49903625
Reduced:	SN3O7H17C24 (1)
Stoich.:	AB3C7D17E24 (1)
Weight, g/mol:	543.87623
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	4.93
IP(EA), eV:	-9.54(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)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=C3)OCC4=CC=CC=C4[N+](=O)[O-])/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations