Formula |
C15H15N4O5PS |
IUPAC Name |
[4-[[(e)-1,3-benzothiazol-2-ylazo]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate |
Molecular Mass |
394.342 g·mol−1 |
Heat of Formation |
-721.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.82 ± 1.08 D |
Volume |
417.25 Å 3 |
Surface Area |
364.57 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
-1.50 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IRSQGYHNYSBCCK-HTXNQAPBSA-N |
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Elements |
C
H
O
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P
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