Geometry & MOs

Info

ID:	322603
PubChem CID:	126670628
Reduced:	NSO2F3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	392.228677
ΔH_f, kcal/mol:	-261.91
Dipole, Da:	6.11
IP(EA), eV:	-8.95(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(1S)-8-amino-7-methyl-3-(3,3,3-trifluoropropanoyl)-3-azabicyclo[3.3.1]nonan-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

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C1C2CC3[C@@H](C(C1CS3)N(C2)C(=O)CC(F)(F)F)O

DOS

IR

Vibrations