[3-(3-Chloro-2-Methylphenyl)-1,2,3,4-Oxatriazol-3-Ium-5-Yl][(4-Methylphenyl)Sulfonyl]Azanide

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Properties Simple | Detailed

Formula C15H18ClN4O3S+
IUPAC Name [3-(3-chloro-2-methylphenyl)oxatriazol-3-ium-5-yl]-(4-methylphenyl)sulfonylazanide
Molecular Mass 369.846 g·mol−1
Heat of Formation 124.1 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 396.45 Å 3
Surface Area 329.99 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • [3-(3-chloro-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-(4-methylphenyl)sulfonyl-azanide
  • [3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]-(4-methylphenyl)sulfonyl-azanide
  • [3-(3-chloro-2-methylphenyl)-5-oxatriazol-3-iumyl]-(4-methylphenyl)sulfonylazanide
  • gea-3175
InChIKey DEJRVULNSZIWLB-UHFFFAOYSA-N
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