| Formula |
C13H14ClN3O5S2 |
| IUPAC Name |
4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazine-1-sulfonic acid |
| Molecular Mass |
391.850 g·mol−1 |
| Heat of Formation |
-758.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.02 ± 1.08 D |
| Volume |
393.52 Å 3 |
| Surface Area |
315.85 Å 2 |
| HOMO Energy |
-9.07 ± 0.55 eV |
| LUMO Energy |
-1.35 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[2-(5-chloro-2-keto-1,3-benzothiazol-3-yl)acetyl]piperazine-1-sulfonic acid
- 4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-oxoethyl]-1-piperazinesulfonic acid
- 4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)ethanoyl]piperazine-1-sulfonic acid
|
| InChIKey |
CGFIUCJGAQTEBI-UHFFFAOYSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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