N-[6-(1H-Imidazol-1-Yl)-7-Nitro-2,4-Dioxo-1,4-Dihydro-3(2H)-Quinazolinyl]Methanesulfonamide

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Properties Simple | Detailed

Formula C12H10N6O6S
IUPAC Name n-(6-imidazol-1-yl-7-nitro-2,4-dioxo-1h-quinazolin-3-yl)methanesulfonamide
Molecular Mass 366.309 g·mol−1
Heat of Formation -297.3 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 363.75 Å 3
Surface Area 321.45 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
Synonyms
  • n-(6-imidazol-1-yl-2,4-diketo-7-nitro-1h-quinazolin-3-yl)methanesulfonamide
  • n-[6-(1-imidazolyl)-7-nitro-2,4-dioxo-1h-quinazolin-3-yl]methanesulfonamide
InChIKey CSIKZRHFFDICGQ-UHFFFAOYSA-N
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