Geometry & MOs

Info

ID:	124942
PubChem CID:	50904886
Reduced:	ClSN3O3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-31.97
Dipole, Da:	6.2
IP(EA), eV:	-9.02(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-methylphenoxy)-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2CC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

DOS

IR

Vibrations