Geometry & MOs

Info

ID:	139713
PubChem CID:	52583977
Reduced:	ClSN3O3C24H30 (1)
Stoich.:	ABC3D3E24F30 (1)
Weight, g/mol:	476.177466
ΔH_f, kcal/mol:	-91.83
Dipole, Da:	6.47
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-(benzenesulfonyl)-N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations