Geometry & MOs

Info

ID:	63089
PubChem CID:	26744222
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	372.153501
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	2.93
IP(EA), eV:	-9.37(0.06)
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-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations