Geometry & MOs

Info

ID:	68896
PubChem CID:	46511424
Reduced:	SN2O5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	404.093913
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	4.9
IP(EA), eV:	-9.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)OC

DOS

IR

Vibrations