N-Methyl-1-{3-[(Methylsulfonyl)Amino]-2,4-Dioxo-7-(Trifluoromethyl)-1,2,3,4-Tetrahydro-6-Quinazolinyl}-1H-Imidazole-4-Carboxamide

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Formula C15H13F3N6O5S++
IUPAC Name 1-[3-(methanesulfonamido)-2,4-dioxo-7-(trifluoromethyl)quinazolin-6-yl]-n-methyl-imidazol-1-ium-3-ide-4-carboxamide
Molecular Mass 446.361 g·mol−1
Heat of Formation -1143.4 ± 16.7 kJ·mol−1
Dipole Moment 7.88 ± 1.08 D
Volume 439.62 Å 3
Surface Area 384.38 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
InChIKey HFRCANFHOYZAQE-UHFFFAOYSA-N
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