Geometry & MOs

Info

ID:	365678
PubChem CID:	127318399
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	4.98
IP(EA), eV:	-9.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopentylsulfonylmethyl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC(=N2)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations