Geometry & MOs

Info

ID:	124107
PubChem CID:	50872762
Reduced:	NBr2O2S2H13C18 (1)
Stoich.:	AB2C2D2E13F18 (1)
Weight, g/mol:	398.911289
ΔH_f, kcal/mol:	18.94
Dipole, Da:	1.08
IP(EA), eV:	-9.2(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-chlorophenyl)-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(C(=CC(=C3)Br)Br)OC)/SC2=S

DOS

IR

Vibrations