| Formula |
C19H21N5O3S |
| IUPAC Name |
2-[4-[3-tert-butyl-5-(thiazol-2-ylcarbamoylamino)pyrazol-1-ium-3-ylium-1-yl]phenyl]acetic acid |
| Molecular Mass |
399.467 g·mol−1 |
| Heat of Formation |
-165.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.73 ± 1.08 D |
| Volume |
466.76 Å 3 |
| Surface Area |
414.67 Å 2 |
| HOMO Energy |
-8.95 ± 0.55 eV |
| LUMO Energy |
2.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RBPOVRMRESQJOZ-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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