Geometry & MOs

Info

ID:	87943
PubChem CID:	49898867
Reduced:	NSO4H19C28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	463.04452
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	2.26
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations