Formula |
C22H20FIN6O3 |
IUPAC Name |
n-[2-[3-(4-fluorobenzoyl)penta-1,4-diynylamino]ethynyl]-2-(2-iodo-1-isocyanato-ethyl)but-3-ynamide; triazane |
Molecular Mass |
560.336 g·mol−1 |
Heat of Formation |
-102.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.26 ± 1.08 D |
Volume |
531.61 Å 3 |
Surface Area |
451.34 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
1.46 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 125i-azidoiodoketanserin
- 2,4(1h,3h)-quinazolinedione, 7-azido-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-8-(iodo-125i)-
- 7-azido-8-iodoketanserin
- azidoiodoketanserin
- azik cpd
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CAS Number(s) |
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InChIKey |
OALSEJAYBSRMHM-XXFZXMJFSA-N |
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Links |
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Elements |
C
F
I
H
O
N
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