Geometry & MOs

Info

ID:	138490
PubChem CID:	52373016
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	346.12772
ΔH_f, kcal/mol:	16.09
Dipole, Da:	2.1
IP(EA), eV:	-9.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2CCCN(C2)C(=O)CC3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations