Geometry & MOs

Info

ID:	88087
PubChem CID:	49900765
Reduced:	NSO2F3H14C22 (1)
Stoich.:	ABC2D3E14F22 (1)
Weight, g/mol:	417.139865
ΔH_f, kcal/mol:	-160.61
Dipole, Da:	3.88
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=CC=C4)C(F)(F)F)/SC3=O

DOS

IR

Vibrations