5-(2,4-Disulfophenyl)-3-(4-Iodophenyl)-2-(4-Nitrophenyl)-2,3-Dihydro-1H-Tetrazol-3-Ium

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Formula C19H15IN5O8S2+
IUPAC Name 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)-4h-tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid
Molecular Mass 632.386 g·mol−1
Heat of Formation 1976.6 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 493.55 Å 3
Surface Area 416.7 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)-4h-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid
InChIKey PAJSIAXXSFQVPJ-UHFFFAOYSA-O
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