Geometry & MOs

Info

ID:	132897
PubChem CID:	51442878
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	295.121986
ΔH_f, kcal/mol:	-164.58
Dipole, Da:	2.16
IP(EA), eV:	-8.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5S)-2-(4-fluorophenyl)-5-methoxycarbonyl-1,5-dimethylpyrrolidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations