Formula |
C29H33ClN6O4 |
IUPAC Name |
1-[3-[2-chloro-4-[[5-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,2-d]pyrimidin-5-ium-4-yl]amino]phenoxy]phenyl]-3-cyclohexyl-urea |
Molecular Mass |
565.063 g·mol−1 |
Heat of Formation |
-343.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.47 ± 1.08 D |
Volume |
659.75 Å 3 |
Surface Area |
560.59 Å 2 |
HOMO Energy |
-8.23 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WDGCQQKABPWBPZ-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
Cl
O
N
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