6-[(5S,9R)-9-(4-Cyanophenyl)-3-(3,5-Dichlorophenyl)-1-Methyl-2,4-Dioxo-1,3,7-Triazaspiro[4.4]Non-7-Yl]Nicotinic Acid

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Properties Simple | Detailed

Formula C26H19Cl2N5O4
IUPAC Name 6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]pyridine-3-carboxylic acid
Molecular Mass 536.366 g·mol−1
Heat of Formation -276.0 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 574.47 Å 3
Surface Area 457.14 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.4]nonan-8-yl]-3-pyridinecarboxylic acid
  • 6-[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.4]nonan-8-yl]pyridine-3-carboxylic acid
  • 6-[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-2,4-diketo-1-methyl-1,3,8-triazaspiro[4.4]nonan-8-yl]nicotinic acid
InChIKey LILGMDXLRPEBNH-HFZDXXHNSA-N
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Elements H C N O Cl