Geometry & MOs

Info

ID:	88466
PubChem CID:	49903633
Reduced:	BrSN2O6H15C24 (1)
Stoich.:	ABC2D6E15F24 (1)
Weight, g/mol:	496.109293
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	5.92
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations