Geometry & MOs

Info

ID:	87881
PubChem CID:	49898313
Reduced:	NSO6H19C24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	419.119129
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	4.21
IP(EA), eV:	-9.03(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC(=O)O

DOS

IR

Vibrations