Formula |
C21H24IN5O2 |
IUPAC Name |
(2s)-1-[[2-(4-azido-3-iodo-phenyl)-1,1-dimethyl-ethyl]amino]-3-(1h-indol-4-yloxy)propan-2-ol |
Molecular Mass |
505.352 g·mol−1 |
Heat of Formation |
3907.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.51 ± 1.08 D |
Volume |
478.86 Å 3 |
Surface Area |
435.72 Å 2 |
HOMO Energy |
-8.05 ± 0.55 eV |
LUMO Energy |
-3.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FBOAAIFDJRRTHS-OAHLLOKOSA-N |
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Elements |
I
C
O
N
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