Propoxycarbazone

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Properties Simple | Detailed

Formula C15H18N4O7S
IUPAC Name methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1,4-diium-1-carbonyl)sulfamoyl]benzoate
Molecular Mass 398.391 g·mol−1
Heat of Formation -937.1 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 427.75 Å 3
Surface Area 373.02 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(5-keto-4-methyl-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid methyl ester
  • 2-[[(4-methyl-5-oxo-3-propoxy-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]benzoic acid methyl ester
  • methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate
  • methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate
  • methyl 2-[(4-methyl-5-oxo-3-propoxy1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate
InChIKey JTHMVYBOQLDDIY-UHFFFAOYSA-N
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