Hemibastadinol 1

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Properties Simple | Detailed

Formula C17H17Br2NO4
IUPAC Name (2s)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-(3-bromo-4-hydroxy-phenyl)ethyl]-2-hydroxy-propanamide
Molecular Mass 459.129 g·mol−1
Heat of Formation -576.4 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 428.54 Å 3
Surface Area 346.46 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-(3-bromo-4-hydroxy-phenyl)ethyl]-2-hydroxy-propanamide
  • (2s)-3-(3-bromo-4-hydroxy-phenyl)-n-[2-(3-bromo-4-hydroxy-phenyl)ethyl]-2-hydroxy-propionamide
  • (2s)-3-(3-bromo-4-hydroxyphenyl)-n-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
InChIKey XDXWMGYLNXERJK-INIZCTEOSA-N
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Elements H C O Br N