Geometry & MOs

Info

ID:	88366
PubChem CID:	49903064
Reduced:	INSO5H22C30 (1)
Stoich.:	ABCD5E22F30 (1)
Weight, g/mol:	443.064986
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	3.42
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5I

DOS

IR

Vibrations