Geometry & MOs

Info

ID:	88337
PubChem CID:	49902973
Reduced:	BrSN2O3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	371.098
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	5.71
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-1-ylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC#N)/SC2=O)Br

DOS

IR

Vibrations