Formula |
C14H13N3OS |
IUPAC Name |
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazole-1,2-diium-3-one |
Molecular Mass |
271.338 g·mol−1 |
Heat of Formation |
205.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.40 ± 1.08 D |
Volume |
303.23 Å 3 |
Surface Area |
281.27 Å 2 |
HOMO Energy |
-8.83 ± 0.55 eV |
LUMO Energy |
2.27 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1h-indazol-3-one
|
InChIKey |
QWUHPPCZZXKXOQ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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