Geometry & MOs

Info

ID:	87021
PubChem CID:	49890667
Reduced:	SN3O5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	432.99834
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	6.47
IP(EA), eV:	-9.56(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations