Geometry & MOs

Info

ID:	54726
PubChem CID:	17389165
Reduced:	BrN4O4H11C19 (1)
Stoich.:	AB4C4D11E19 (1)
Weight, g/mol:	483.87373
ΔH_f, kcal/mol:	49.72
Dipole, Da:	8.79
IP(EA), eV:	-9.36(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(3-bromoanilino)methyl]-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N/C=C\3/C=C(C=C(C3=O)Br)[N+](=O)[O-])N=C(O2)C4=CC=NC=C4

DOS

IR

Vibrations