2-Amino-5-(1-Naphthylsulfanyl)-1,9-Dihydro-4H-Pyrimido[4,5-B]Indol-4-One

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Properties Simple | Detailed

Formula C20H14N4OS
IUPAC Name 2-amino-5-naphthalen-1-ylsulfanyl-1,9-dihydropyrimido[4,5-b]indol-4-one
Molecular Mass 358.416 g·mol−1
Heat of Formation 3340.3 ± 16.7 kJ·mol−1
Dipole Moment 10.61 ± 1.08 D
Volume 376.18 Å 3
Surface Area 310.33 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
InChIKey NSASWBYEPOLHJW-UHFFFAOYSA-N
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