5-(3-Morpholin-4-Yl-Propyl)-2-(3-Nitro-Phenyl)-4-Thioxo-4,5-Dihydro-1-Thia-3B,5-Diaza-Cyclopenta[A]Pentalen-6-One

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Formula C21H20N4O4S2
IUPAC Name 6-(3-morpholinopropyl)-2-(3-nitrophenyl)-5-thioxo-thieno[1,2]pyrrolo[4,5-c]imidazole-1,4-diium-7-one
Molecular Mass 456.538 g·mol−1
Heat of Formation 136.8 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 503.68 Å 3
Surface Area 444.03 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[3-(4-morpholinyl)propyl]-2-(3-nitrophenyl)-5-thioxo-5,6,-dihydro-7h-thienol[2',3':4,5]pyrrolo[1,2-c] imidazol-7-one
InChIKey UXGUZFZBZPPZGL-UHFFFAOYSA-N
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