(9S,12S)-9-Isopropyl-7,10-Dioxo-2-Oxa-8,11-Diazabicyclo[12.2.2]Octadeca-1(16),14,17-Triene-12-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H26N2O5
IUPAC Name (3s,6s)-6-isopropyl-5,8-dioxo-13-oxa-4,7-diazabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-3-carboxylic acid
Molecular Mass 362.420 g·mol−1
Heat of Formation -961.1 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 452.6 Å 3
Surface Area 344.65 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-5,8-dioxo-6-propan-2-yl-13-oxa-4,7-diazabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-3-carboxylic acid
  • (3s,6s)-6-isopropyl-5,8-diketo-13-oxa-4,7-diazabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-3-carboxylic acid
  • (3s,6s)-6-isopropyl-5,8-dioxo-13-oxa-4,7-diazabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-3-carboxylic acid
InChIKey RRAAROKJUVKWAF-RDJZCZTQSA-N
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