Geometry & MOs

Info

ID:	171042
PubChem CID:	75317190
Reduced:	NSBr2Cl2O3H9C17 (1)
Stoich.:	ABC2D2E3F9G17 (1)
Weight, g/mol:	486.87117
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	2.05
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)S3)Br

DOS

IR

Vibrations