(-)-Etomidate

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Properties Simple | Detailed

Formula C14H16N2O2
IUPAC Name ethyl 3-[(1s)-1-phenylethyl]imidazol-3-ium-4-ylium-4-carboxylate
Molecular Mass 244.289 g·mol−1
Heat of Formation -163.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 302.78 Å 3
Surface Area 276.49 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1s)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
  • 3-[(1s)-1-phenylethyl]imidazole-4-carboxylic acid ethyl ester
  • bpbio1_001060
  • ethyl 3-[(1s)-1-phenylethyl]imidazole-4-carboxylate
InChIKey NPUKDXXFDDZOKR-NSHDSACASA-N
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