Geometry & MOs

Info

ID:	87192
PubChem CID:	49892978
Reduced:	NSCl2O2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	458.88985
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	3.96
IP(EA), eV:	-9.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations