Geometry & MOs

Info

ID:	238631
PubChem CID:	92763897
Reduced:	SO3N4H10C14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	317.069295
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	5.64
IP(EA), eV:	-9.76(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-phenyl-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)SC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N

DOS

IR

Vibrations