Formula |
C18H18Br2N2O6 |
IUPAC Name |
(2s)-2-(5-bromo-2-hydroxy-phenyl)-2-[2-[[(s)-(5-bromo-2-hydroxy-phenyl)-carboxy-methyl]amino]ethylamino]acetic acid |
Molecular Mass |
518.153 g·mol−1 |
Heat of Formation |
-869.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.51 ± 1.08 D |
Volume |
479.92 Å 3 |
Surface Area |
410.71 Å 2 |
HOMO Energy |
-9.18 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C2
|
InChIKey |
ZIXYCTFWCCSCBN-HOTGVXAUSA-N |
QR Code |
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Links |
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Elements |
H
C
O
Br
N
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