Ethyl (4S)-2-Amino-6-Bromo-4-[(1S)-1-Cyano-2-Ethoxy-2-Oxoethyl]-4H-Chromene-3-Carboxylate

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Properties Simple | Detailed

Formula C17H17BrN2O5
IUPAC Name ethyl (4s)-2-amino-6-bromo-4-[(1s)-1-cyano-2-ethoxy-2-oxo-ethyl]-4h-chromene-3-carboxylate
Molecular Mass 409.231 g·mol−1
Heat of Formation -676.2 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 421.02 Å 3
Surface Area 343.53 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-amino-6-bromo-4-[(1s)-1-cyano-2-ethoxy-2-keto-ethyl]-4h-chromene-3-carboxylic acid ethyl ester
  • (4s)-2-amino-6-bromo-4-[(1s)-1-cyano-2-ethoxy-2-oxoethyl]-4h-chromene-3-carboxylic acid ethyl ester
  • ethyl (4s)-2-amino-6-bromo-4-[(1s)-1-cyano-2-ethoxy-2-oxo-ethyl]-4h-chromene-3-carboxylate
  • ha-14-1
  • tocris-1541
InChIKey SXJDCULZDFWMJC-DGCLKSJQSA-N
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Elements H C O Br N