Geometry & MOs

Info

ID:	88323
PubChem CID:	49902927
Reduced:	BrSN2F3O5H16C28 (1)
Stoich.:	ABC2D3E5F16G28 (1)
Weight, g/mol:	518.89624
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	6.72
IP(EA), eV:	-9.07(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C=C4)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-])Br)/SC3=O

DOS

IR

Vibrations