(3S)-1-[2-(Pyrido[2,3-B]Pyrazin-7-Ylsulfanyl)-9H-Pyrimido[4,5-B]Indol-4-Yl]-3-Pyrrolidinamine

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Formula C21H18N8S
IUPAC Name (1r,3s)-1-(2-pyrido[2,3-b]pyrazin-7-ylsulfanylpyrimido[4,5-b]indol-9-ium-4-yl)pyrrolidin-3-amine
Molecular Mass 414.486 g·mol−1
Heat of Formation 662.9 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 461.13 Å 3
Surface Area 402.87 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey YQQNXOBXIZYKPR-LBPRGKRZSA-N
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Elements H C S N