Formula |
C18H21F2N3O7S |
IUPAC Name |
[(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxo-ethyl] morpholine-4-carboxylate |
Molecular Mass |
461.437 g·mol−1 |
Heat of Formation |
-1446.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.97 ± 1.08 D |
Volume |
491.3 Å 3 |
Surface Area |
416.61 Å 2 |
HOMO Energy |
-9.68 ± 0.55 eV |
LUMO Energy |
2.64 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
- 4-morpholinecarboxylic acid [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxoethyl] ester
- [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxo-ethyl] morpholine-4-carboxylate
- [(2r)-1-(cyanomethylamino)-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-propan-2-yl] morpholine-4-carboxylate
- [(2r)-1-(cyanomethylamino)-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxopropan-2-yl] morpholine-4-carboxylate
- mo9
- morpholine-4-carboxylic acid [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)benzyl]sulfonylmethyl]-2-keto-ethyl] ester
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InChIKey |
YKWHKILAGONYKL-HNNXBMFYSA-N |
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Elements |
C
F
H
O
N
S
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