Geometry & MOs

Info

ID:	63093
PubChem CID:	26744231
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	198.124252
ΔH_f, kcal/mol:	-131.46
Dipole, Da:	6.28
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations