Geometry & MOs

Info

ID:	85875
PubChem CID:	49879839
Reduced:	BrO3N6C14H17 (1)
Stoich.:	AB3C6D14E17 (1)
Weight, g/mol:	511.92279
ΔH_f, kcal/mol:	45.41
Dipole, Da:	2.95
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=N/N=C(/C2=NON=C2N)\N)Br)OCC

DOS

IR

Vibrations