Geometry & MOs

Info

ID:	63081
PubChem CID:	26744210
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	289.166451
ΔH_f, kcal/mol:	-118.66
Dipole, Da:	6.39
IP(EA), eV:	-9.3(-0.14)
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)-1-(pyridin-4-ylmethyl)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