6-(3-Morpholinopropyl)-2-(3-Nitrophenyl)-5-Thioxo-Thieno[2,3]Pyrrolo[4,5-C]Imidazole-1,4-Diium-7-One

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Formula C21H20N4O4S2
IUPAC Name 6-(3-morpholinopropyl)-2-(3-nitrophenyl)-5-thioxo-thieno[2,3]pyrrolo[4,5-c]imidazole-1,4-diium-7-one
Molecular Mass 456.538 g·mol−1
Heat of Formation 136.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 504.03 Å 3
Surface Area 444.14 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey UYMKYZNUYUFMPX-UHFFFAOYSA-N
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