Geometry & MOs

Info

ID:	139711
PubChem CID:	52583975
Reduced:	ClO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	476.177466
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	4.7
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)NC2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC(=CC=C3)Cl)N4CCCC4

DOS

IR

Vibrations