(2S,5R,6R)-6-[(2-Ethoxy-1-Naphthoyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

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Properties Simple | Detailed

Formula C21H21N2O5S-
IUPAC Name (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 413.467 g·mol−1
Heat of Formation 2384.1 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 446.17 Å 3
Surface Area 358.97 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-[(2-ethoxynaphthalen-1-yl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-[[(2-ethoxy-1-naphthyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKey GPXLMGHLHQJAGZ-JTDSTZFVSA-M
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