N-(4-(4-Chloro-5-(3-Fluoro-4-Methoxyphenyl)Imidazol-1-Yl)Phenylsulfonyl)Phosphoramidic Acid

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Formula C16H14ClFN3O6PS
IUPAC Name [[4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-ium-5-ylium-1-yl]phenyl]sulfonylamino]phosphonic acid
Molecular Mass 461.789 g·mol−1
Heat of Formation -1211.9 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 468.61 Å 3
Surface Area 370.32 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]phenyl]sulfonylamino]phosphonic acid
  • [[4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1-imidazolyl]phenyl]sulfonylamino]phosphonic acid
  • [[4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylamino]phosphonic acid
InChIKey DEOMXAFNZXYCBQ-UHFFFAOYSA-N
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Elements C F H Cl O N P S