Geometry & MOs

Info

ID:	86618
PubChem CID:	49887660
Reduced:	NSCl2O5H13C22 (1)
Stoich.:	ABC2D5E13F22 (1)
Weight, g/mol:	424.92882
ΔH_f, kcal/mol:	-124.9
Dipole, Da:	7.08
IP(EA), eV:	-9.34(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/SC2=O)Cl

DOS

IR

Vibrations