(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-1-Oxaspiro[2.5]Oct-6-Yl (Chloroacetyl)Carbamate

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Properties Simple | Detailed

Formula C19H28ClNO6
IUPAC Name [(3r,4s,5s,6r)-5-methoxy-4-[(2s,3s)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-(2-chloroacetyl)carbamate
Molecular Mass 401.882 g·mol−1
Heat of Formation -944.6 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 477.08 Å 3
Surface Area 382.77 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey MSHZHSPISPJWHW-HUTWWKRSSA-N
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Elements H C N O Cl