2-Nitrooxyethyl (15S,22S,23R)-22-Ethyl-Blahe-19-Carboxylate

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Properties Simple | Detailed

Formula C22H25N3O5
IUPAC Name 2-nitrooxyethyl (15s,22s,23r)-22-ethyl-blahe-19-carboxylate
Molecular Mass 411.451 g·mol−1
Heat of Formation -235.1 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 474.28 Å 3
Surface Area 392.53 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey WQEFCDZWORWJTP-IRLDBZIGSA-N
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