N-[(1S)-2-Amino-1-Phenylethyl]-2-[(4S)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazin-4-Yl]Acetamide

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Properties Simple | Detailed

Formula C22H22FN5O2
IUPAC Name n-[(1s)-2-amino-1-phenyl-ethyl]-2-[(4s)-7-(2-fluoro-4-pyridyl)-1-oxo-3,4-dihydro-2h-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
Molecular Mass 407.441 g·mol−1
Heat of Formation -198.6 ± 16.7 kJ·mol−1
Dipole Moment 9.52 ± 1.08 D
Volume 473.35 Å 3
Surface Area 415.58 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey MCZCAWWHZGEUFE-ZWKOTPCHSA-N
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