Geometry & MOs

Info

ID:	125774
PubChem CID:	50937768
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	211.181038
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	6.69
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)C4CC4

DOS

IR

Vibrations