Formula |
C25H26Cl2N6O4 |
IUPAC Name |
2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-hydroxy-6-oxo-pyrimidin-1-ium-5-ide-5-carboxamide |
Molecular Mass |
545.418 g·mol−1 |
Heat of Formation |
2489.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.56 ± 1.08 D |
Volume |
504.21 Å 3 |
Surface Area |
427.01 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
-3.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SLGIPMWTTPZXTJ-GJZGRUSLSA-N |
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Elements |
C
Cl
O
N
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