Geometry & MOs

Info

ID:	63078
PubChem CID:	26744207
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	3.91
IP(EA), eV:	-9.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(3R,5S)-1-(1-methylpiperidin-1-ium-4-yl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations