Geometry & MOs

Info

ID:	171080
PubChem CID:	75324793
Reduced:	ClSN2O5H15C25 (1)
Stoich.:	ABC2D5E15F25 (1)
Weight, g/mol:	447.150429
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	5.28
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)SC3=O

DOS

IR

Vibrations