Geometry & MOs

Info

ID:	139407
PubChem CID:	52523655
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	372.265102
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	9.5
IP(EA), eV:	-8.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-N-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methyl]-1-propanoylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C[C@H]1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C

DOS

IR

Vibrations