Geometry & MOs

Info

ID:	88282
PubChem CID:	49902732
Reduced:	BrSN2O4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	424.92882
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	3.89
IP(EA), eV:	-9.8(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/SC2=O)Br

DOS

IR

Vibrations