Geometry & MOs

Info

ID:	200560
PubChem CID:	79410983
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	3.01
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC2=COC(=N2)C3=CC=CS3)O)O

DOS

IR

Vibrations