Formula |
C24H37BrN2O3 |
IUPAC Name |
n-[1-[4-[[(2r)-3-(2-allylphenoxy)-2-hydroxy-propyl]amino]-4-methyl-cyclohexyl]-1-methyl-ethyl]-2-bromo-acetamide |
Molecular Mass |
481.466 g·mol−1 |
Heat of Formation |
-619.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.01 ± 1.08 D |
Volume |
555.72 Å 3 |
Surface Area |
386.92 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
2.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UAXZWLFRPNDCMX-REHUZNOOSA-N |
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Elements |
H
C
O
Br
N
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