Penicillin A

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Formula C16H26N2O4S
IUPAC Name (2s,5r,6r)-3,3-dimethyl-6-(octanoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 342.454 g·mol−1
Heat of Formation -776.9 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 421.71 Å 3
Surface Area 375.51 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey XVASOOUVMJAZNJ-MBNYWOFBSA-N
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