Geometry & MOs

Info

ID:	134342
PubChem CID:	51683408
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	384.20873
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	4.04
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N[C@@H](CC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations