7-({4-[(3R)-3-Amino-1-Pyrrolidinyl]-5-Chloro-6-Ethyl-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl}Sulfanyl)Pyrido[2,3-B]Pyrazin-2(1H)-One

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Properties Simple | Detailed

Formula C19H19ClN8OS+
IUPAC Name 7-[4-[(1s,3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-pyrrolo[2,3-d]pyrimidin-7-ium-5-id-2-yl]sulfanyl-3h-pyrido[2,3-b]pyrazin-1-ium-3-ylium-2-one
Molecular Mass 442.925 g·mol−1
Heat of Formation 266.5 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 480.64 Å 3
Surface Area 412.73 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey QARZTJJXVNQVNZ-SECBINFHSA-N
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