Gymnastatin R

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Properties Simple | Detailed

Formula C23H33Cl2NO4
IUPAC Name (2e,4e,6r)-n-[(1r,5r,6s,7s)-3,5-dichloro-1,6-dihydroxy-4-oxo-7-bicyclo[3.3.1]non-2-enyl]-4,6-dimethyl-dodeca-2,4-dienamide
Molecular Mass 458.418 g·mol−1
Heat of Formation -845.2 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 547.84 Å 3
Surface Area 477.7 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey WDCSNVYLZCMUNB-WFXSWVRYSA-N
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Elements H C N O Cl