Formula |
C19H33N3O4S |
IUPAC Name |
n-[(2s,3r)-2-[(1s)-1-formyl-2-methyl-propyl]-1-[(e)-4-(1-piperidyl)but-2-enoyl]pyrrolidin-3-yl]methanesulfonamide |
Molecular Mass |
399.548 g·mol−1 |
Heat of Formation |
-716.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.66 ± 1.08 D |
Volume |
499.46 Å 3 |
Surface Area |
412.73 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
0.26 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(2s,3r)-2-[(1s)-1-formyl-2-methyl-propyl]-1-[(e)-4-piperidinobut-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
- n-[(2s,3r)-2-[(2s)-3-methyl-1-oxo-butan-2-yl]-1-[(e)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
- n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
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InChIKey |
BSBJWRKWANAVRQ-POTLKAILSA-N |
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Links |
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Elements |
H
C
S
O
N
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