Geometry & MOs

Info

ID:	134555
PubChem CID:	51714169
Reduced:	ClSO3N4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	358.201833
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	6.32
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations