Geometry & MOs

Info

ID:	240798
PubChem CID:	93617628
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	3.02
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N(C)C[C@@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations