Herbacic Acid

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Properties Simple | Detailed

Formula C14H19Cl6NO3
IUPAC Name (2s,4s)-5,5,5-trichloro-4-methyl-2-[methyl-[(e,5s)-6,6,6-trichloro-5-methyl-hex-2-enoyl]amino]pentanoic acid
Molecular Mass 462.024 g·mol−1
Heat of Formation -893.1 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 472.56 Å 3
Surface Area 364.67 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-5,5,5-trichloro-4-methyl-2-[methyl-[(e,5s)-6,6,6-trichloro-5-methyl-1-oxohex-2-enyl]amino]pentanoic acid
  • (2s,4s)-5,5,5-trichloro-4-methyl-2-[methyl-[(e,5s)-6,6,6-trichloro-5-methyl-hex-2-enoyl]amino]pentanoic acid
  • (2s,4s)-5,5,5-trichloro-4-methyl-2-[methyl-[(e,5s)-6,6,6-trichloro-5-methyl-hex-2-enoyl]amino]valeric acid
  • (2s,4s)-5,5,5-trichloro-4-methyl-2-[methyl-[(e,5s)-6,6,6-trichloro-5-methylhex-2-enoyl]amino]pentanoic acid
InChIKey FYSJFLMSVGZPJE-ZNSGJFPESA-N
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Elements H C N O Cl