(4α,12Xi)-12,13-Epoxytrichothec-9-En-4-Yl Bromoacetate

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Formula C17H23BrO4
IUPAC Name (4alpha,12xi)-12,13-epoxytrichothec-9-en-4-yl bromoacetate
Molecular Mass 371.266 g·mol−1
Heat of Formation -600.8 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 389.45 Å 3
Surface Area 314.48 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey ALINPKRKQDZSFF-NQMAFBIYSA-N
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Elements H C O Br