Geometry & MOs

Info

ID:	87303
PubChem CID:	49893919
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	5.72
IP(EA), eV:	-9.24(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/SC2=O

DOS

IR

Vibrations