Geometry & MOs

Info

ID:	46969
PubChem CID:	10528697
Reduced:	NO3S3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	479.203878
ΔH_f, kcal/mol:	13.16
Dipole, Da:	9.52
IP(EA), eV:	-8.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-[2,2-bis(4-fluoro-2-methylphenyl)ethenoxy]ethyl]piperidin-1-ium-3-carboxylate;chloride

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)S(=O)C2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations