Geometry & MOs

Info

ID:	355511
PubChem CID:	127288574
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	3.09
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)CC3CCOC3

DOS

IR

Vibrations