Geometry & MOs

Info

ID:	124140
PubChem CID:	50873479
Reduced:	BrSCl2N2O4H21C31 (1)
Stoich.:	ABC2D2E4F21G31 (1)
Weight, g/mol:	340.070405
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	3.88
IP(EA), eV:	-8.91(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-5-[[4-(N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations