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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Links |
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Elements |
H
C
F
O
N
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