Geometry & MOs

Info

ID:	87954
PubChem CID:	49898948
Reduced:	FSN2O2H21C27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	406.062343
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	7.82
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-2-ylmethyl)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations