Geometry & MOs

Info

ID:	141403
PubChem CID:	52874130
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	4.32
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCCC[C@H]3C4OCCO4

DOS

IR

Vibrations