2'-{(1S,2S)-2-[(3,4-Dichlorobenzyl)Carbamoyl]Cyclohexyl}-6'-Ethyl-4-Hydroxy-6-Oxo-1,6-Dihydro-2,4'-Bipyrimidine-5-Carboxamide

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Properties Simple | Detailed

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