(5β,6β,14β,18R)-17-(Cyclopropylmethyl)-6-(2-Fluoroethoxy)-18-(2-Hydroxy-2-Propanyl)-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

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Properties Simple | Detailed

Formula C27H36FNO4
IUPAC Name (5beta,6beta,14beta,18r)-17-(cyclopropylmethyl)-6-(2-fluoroethoxy)-18-(2-hydroxy-2-propanyl)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 457.577 g·mol−1
Heat of Formation -770.6 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 545.44 Å 3
Surface Area 414.07 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
InChIKey VKHMXTVEQIZBFB-JZGHPPSWSA-N
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Elements H C N O F