Geometry & MOs

Info

ID:	124106
PubChem CID:	50872761
Reduced:	NSCl2O3H15C23 (1)
Stoich.:	ABC2D3E15F23 (1)
Weight, g/mol:	498.8734
ΔH_f, kcal/mol:	-37.79
Dipole, Da:	6.17
IP(EA), eV:	-9.24(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/3\C(=O)N(C(=O)S3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations