| Formula |
C17H14BrN3O2S |
| IUPAC Name |
2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid |
| Molecular Mass |
404.281 g·mol−1 |
| Heat of Formation |
125.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.23 ± 1.08 D |
| Volume |
403.66 Å 3 |
| Surface Area |
350.2 Å 2 |
| HOMO Energy |
-8.91 ± 0.55 eV |
| LUMO Energy |
-1.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
FGQFOYHRJSUHMR-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
H
O
N
S
Br
|
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