Geometry & MOs

Info

ID:	87068
PubChem CID:	49891491
Reduced:	NSF2O3H17C24 (1)
Stoich.:	ABC2D3E17F24 (1)
Weight, g/mol:	469.114793
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	4.77
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)F)/SC2=O)F

DOS

IR

Vibrations