Formula |
C22H31N3O6S |
IUPAC Name |
tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate |
Molecular Mass |
465.563 g·mol−1 |
Heat of Formation |
-776.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.11 ± 1.08 D |
Volume |
546.6 Å 3 |
Surface Area |
453.86 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
2.61 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
- 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester
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InChIKey |
RXFCFGLSOUOCEA-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
S
O
N
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