Geometry & MOs

Info

ID:	124028
PubChem CID:	50870079
Reduced:	INOS2H12C18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	359.88741
ΔH_f, kcal/mol:	87.66
Dipole, Da:	3.5
IP(EA), eV:	-8.88(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3I

DOS

IR

Vibrations