Formula |
C20H21ClN5O5P |
IUPAC Name |
[4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-1h-purine-3,9-diium-5-id-8-yl]phenyl]phosphonic acid |
Molecular Mass |
477.838 g·mol−1 |
Heat of Formation |
-745.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.63 ± 1.08 D |
Volume |
506.6 Å 3 |
Surface Area |
390.12 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-1.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NEJDDMVEHGEEDK-UHFFFAOYSA-O |
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Elements |
C
Cl
H
O
N
P
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