2-[(3R,4R)-4-Chloro-3-[(1S,6S)-6-Chloro-3-(1,5-Dihydroimidazol-3-Ium-5-Id-2-Yl)-1,2-Dimethyl-4-Nitro-Cyclohexa-2,4-Dien-1-Yl]Sulfonyl-2,3-Dimethyl-6-Nitro-Cyclohexa-1,5-Dien-1-Yl]-1,5-Dihydroimidazol-3-Ium-5-Ide

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Properties Simple | Detailed

Formula C22H24Cl2N6O6S
IUPAC Name 2-[(3r,4r)-4-chloro-3-[(1s,6s)-6-chloro-3-(1,5-dihydroimidazol-3-ium-5-id-2-yl)-1,2-dimethyl-4-nitro-cyclohexa-2,4-dien-1-yl]sulfonyl-2,3-dimethyl-6-nitro-cyclohexa-1,5-dien-1-yl]-1,5-dihydroimidazol-3-ium-5-ide
Molecular Mass 571.434 g·mol−1
Heat of Formation -17.5 ± 16.7 kJ·mol−1
Dipole Moment 9.66 ± 1.08 D
Volume 586.69 Å 3
Surface Area 433.49 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
InChIKey QDPFEJQJKAGLGI-NLZGTENKSA-N
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