(5β)-17-(Cyclopropylmethyl)-3-Hydroxy-6-Oxo-4,5-Epoxymorphinan-14-Yl Chloroacetate

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Properties Simple | Detailed

Formula C22H24ClNO5
IUPAC Name [(3r,4r,4as,7ar,12bs)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] 2-chloroacetate
Molecular Mass 417.883 g·mol−1
Heat of Formation -668.2 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 472.28 Å 3
Surface Area 363.45 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey RBLRREDDNIMVKU-YPVJZLTNSA-N
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Elements H C N O Cl