Formula |
C14H14BNO5S |
IUPAC Name |
3-[(r)-borono-[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid |
Molecular Mass |
319.141 g·mol−1 |
Heat of Formation |
-976.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.11 ± 1.08 D |
Volume |
357.35 Å 3 |
Surface Area |
324.78 Å 2 |
HOMO Energy |
-9.10 ± 0.55 eV |
LUMO Energy |
1.89 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid
- 3-[(r)-borono-[[1-oxo-2-(2-thienyl)ethyl]amino]methyl]benzoic acid
- 3-[(r)-borono-[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid
- 3-[(r)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]benzoic acid
|
InChIKey |
HQLQTGGLHBYZSA-ZDUSSCGKSA-N |
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Links |
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Downloads |
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Elements |
C
B
H
O
N
S
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