Geometry & MOs

Info

ID:	344527
PubChem CID:	127268111
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	6.26
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations