Formula |
C18H16ClN3O3 |
IUPAC Name |
cyclopropylmethyl (7s)-13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate |
Molecular Mass |
357.791 g·mol−1 |
Heat of Formation |
-93.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.77 ± 1.08 D |
Volume |
392.24 Å 3 |
Surface Area |
337.45 Å 2 |
HOMO Energy |
-9.90 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 9h,11h-azeto(2,1-c)imidazo(1,5-a)(1,4)benzodiazepine-1-carboxylic acid, 8-chloro-12,12a-dihydro-9-oxo-, cyclopropylmethyl ester, (s)-
- ro 17-1812
- ro-17-1812
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CAS Number(s) |
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InChIKey |
HFTSPQUXYIMHAN-ZDUSSCGKSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
Cl
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