Geometry & MOs

Info

ID:	88289
PubChem CID:	49902783
Reduced:	NSBr2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	465.00343
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	2.68
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)OCC4=CC=CC(=C4)C

DOS

IR

Vibrations