Geometry & MOs

Info

ID:	83783
PubChem CID:	49861335
Reduced:	ClSO2N3C13H22 (1)
Stoich.:	ABC2D3E13F22 (1)
Weight, g/mol:	404.166684
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	1.75
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;hydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=NC=C1)NC2CCCCCC2.Cl

DOS

IR

Vibrations