Formula |
C21H26IN5O4 |
IUPAC Name |
(4r)-n-[2-(4-azido-3-iodo-phenyl)ethyl]-4-[[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]pentanamide |
Molecular Mass |
539.367 g·mol−1 |
Heat of Formation |
2841.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.98 ± 1.08 D |
Volume |
482.0 Å 3 |
Surface Area |
461.87 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
-3.06 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BWJYPABMMFBINC-RNODOKPDSA-N |
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Elements |
I
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