6-[(3-Aminophenyl)Methyl]-4-Methyl-2-[(R)-Methylsulfinyl]Thieno[1,2]Pyrrolo[3,4-D]Pyridazine-4,6-Diium-5-One

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Formula C17H24N4O2S2
IUPAC Name 6-[(3-aminophenyl)methyl]-4-methyl-2-[(r)-methylsulfinyl]-3,8-dihydrothieno[3,4]pyrrolo[1,3-d]pyridazine-2,3,3a,4a,7,8,8a,8b-octaid-5-one
Molecular Mass 380.528 g·mol−1
Heat of Formation 152.7 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 409.33 Å 3
Surface Area 362.58 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
InChIKey RTSYEGDFFYDOGJ-LYXSWEDZSA-O
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