Geometry & MOs

Info

ID:	368542
PubChem CID:	127329408
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	2.83
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)CC3CCOCC3

DOS

IR

Vibrations