Geometry & MOs

Info

ID:	59711
PubChem CID:	24894643
Reduced:	NO2S3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	471.12704
ΔH_f, kcal/mol:	6.29
Dipole, Da:	4.4
IP(EA), eV:	-8.72(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,2-dimethyl-2-azoniabicyclo[2.2.1]heptan-7-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;iodide

Drug info:

PubChemData

Smile

CCSC(=S)SCC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations