N-(2-Methyl-4,5-Dihydrothiazolo[4,5-H]Quinazoline-3,7,9-Triium-5A,9B-Diid-8-Yl)-3-Nitro-Cyclohexa-2,4-Dien-1-Imine

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Formula C16H15N5O2S
IUPAC Name n-(2-methyl-4,5-dihydrothiazolo[4,5-h]quinazoline-3,7,9-triium-5a,9b-diid-8-yl)-3-nitro-cyclohexa-2,4-dien-1-imine
Molecular Mass 341.388 g·mol−1
Heat of Formation 449.2 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 367.95 Å 3
Surface Area 340.95 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
InChIKey NMQIIELNPCSRPN-ODLFYWEKSA-N
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