3-{[2-(4-Azidophenyl)-2-Oxoethyl]Sulfanyl}-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C15H20N4O3S
IUPAC Name (3r)-3-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-4-(trimethylammonio)butanoate
Molecular Mass 336.409 g·mol−1
Heat of Formation 2140.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 367.57 Å 3
Surface Area 359.08 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey DTJOXIFZJQVZPU-CYBMUJFWSA-N
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