| Formula |
C13H15NO3S |
| IUPAC Name |
(2s,3s)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid |
| Molecular Mass |
265.328 g·mol−1 |
| Heat of Formation |
-464.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.43 ± 1.08 D |
| Volume |
307.18 Å 3 |
| Surface Area |
266.6 Å 2 |
| HOMO Energy |
-8.51 ± 0.55 eV |
| LUMO Energy |
2.03 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2s,3s)-2-(3-keto-1,2-benzothiazol-2-yl)-3-methyl-valeric acid
- (2s,3s)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid
- 3(s)-methyl-2(s)-(1-oxo(3-thiaisoindolin-2-yl))pentanoic acid
- pd161374
|
| InChIKey |
FUSYFEXGXRDJNB-KWQFWETISA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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