Formula |
C16H13BrN6O3S |
IUPAC Name |
[2-bromo-4-[[4-cyano-n-(1,2,4-triazol-4-yl)anilino]methyl]phenyl] sulfamate |
Molecular Mass |
449.282 g·mol−1 |
Heat of Formation |
181.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.21 ± 1.08 D |
Volume |
436.46 Å 3 |
Surface Area |
334.68 Å 2 |
HOMO Energy |
-9.73 ± 0.55 eV |
LUMO Energy |
-1.53 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(3-bromo-4-o-sulfamoylbenzyl)(4-cyanophenyl)amino]-4h-[1,2,4]-triazole
- 4tr
- [2-bromo-4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]phenyl] sulfamate
|
InChIKey |
GHDKYBCUDPSXGJ-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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