(7R)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-[2-(1,3-Thiazol-4-Yl)-1H-Imidazol-1-Yl]-7,8-Dihydro-6(5H)-Pteridinone

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Properties Simple | Detailed

Formula C20H23N7OS
IUPAC Name (7r,8r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-thiazol-4-ylimidazol-1-ium-2-ylium-1-yl)-7h-pteridin-6-one
Molecular Mass 409.508 g·mol−1
Heat of Formation 311.5 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 481.23 Å 3
Surface Area 397.95 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey HGHXLCCYGNWFLX-OAHLLOKOSA-N
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