2-Methyl-2-Propanyl {(2S)-1-[(3-Chloro-2-Formylphenyl)Amino]-3-Methyl-1-Oxo-2-Butanyl}Carbamate

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Properties Simple | Detailed

Formula C17H23ClN2O4
IUPAC Name tert-butyl n-[(1s)-1-[(3-chloro-2-formyl-phenyl)carbamoyl]-2-methyl-propyl]carbamate
Molecular Mass 354.829 g·mol−1
Heat of Formation -771.9 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 425.02 Å 3
Surface Area 367.92 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • [1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
  • icl
  • n-[(1s)-1-[(3-chloro-2-formyl-phenyl)carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester
  • n-[(1s)-1-[[(3-chloro-2-formylphenyl)amino]-oxomethyl]-2-methylpropyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-1-[(3-chloro-2-formyl-phenyl)carbamoyl]-2-methyl-propyl]carbamate
  • tert-butyl n-[(2s)-1-[(3-chloro-2-formylphenyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
  • tert-butyl n-[(2s)-1-[(3-chloro-2-methanoyl-phenyl)amino]-3-methyl-1-oxo-butan-2-yl]carbamate
InChIKey GBHYPZDGTWSQFR-AWEZNQCLSA-N
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Elements H C N O Cl