1'-{2-[(1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl)Amino]Propanoyl}Spiro[Bicyclo[2.2.2]Octane-2,3'-Pyrrolidine]-5'-Carboxylic Acid

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Properties Simple | Detailed

Formula C27H38N2O5
IUPAC Name (2'r,3r)-1'-[(2s)-2-[[(1r)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]spiro[bicyclo[2.2.2]octane-3,4'-pyrrolidine]-2'-carboxylic acid
Molecular Mass 470.601 g·mol−1
Heat of Formation -976.5 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 589.34 Å 3
Surface Area 460.99 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey NWHCDUODNHUNLN-KABMVNLWSA-N
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