Formula |
C13H14BNO3S |
IUPAC Name |
[(r)-phenyl-[[2-(2-thienyl)acetyl]amino]methyl]boronic acid |
Molecular Mass |
275.131 g·mol−1 |
Heat of Formation |
-607.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.49 ± 1.08 D |
Volume |
320.68 Å 3 |
Surface Area |
293.75 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
2.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
- [(r)-[[1-oxo-2-(2-thienyl)ethyl]amino]-phenylmethyl]boronic acid
- [(r)-phenyl-(2-thiophen-2-ylethanoylamino)methyl]boronic acid
- [(r)-phenyl-[(2-thiophen-2-ylacetyl)amino]methyl]boronic acid
- [(r)-phenyl-[[2-(2-thienyl)acetyl]amino]methyl]boronic acid
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InChIKey |
LGJCDEZMANATFA-ZDUSSCGKSA-N |
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Elements |
C
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