S-[2-({N-[2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]-β-Alanyl}Amino)Ethyl] Ethanethioate

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Formula C13H25N2O8PS
IUPAC Name s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
Molecular Mass 400.385 g·mol−1
Heat of Formation -1900.4 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 454.49 Å 3
Surface Area 378.95 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey AJFWMDFTVVFMHY-LLVKDONJSA-N
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