Formula |
C27H28BrNO2 |
IUPAC Name |
(11s)-2-bromo-n-(2,6-diisopropylphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide |
Molecular Mass |
478.421 g·mol−1 |
Heat of Formation |
-169.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.35 ± 1.08 D |
Volume |
540.55 Å 3 |
Surface Area |
416.04 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (11s)-2-bromo-n-(2,6-diisopropylphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
- (11s)-2-bromo-n-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
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InChIKey |
AJLGIHBSQSODDV-VWLOTQADSA-N |
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Links |
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Elements |
H
C
O
Br
N
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