N-Acetyl-S-(2-Bromo-3,6-Dihydroxyphenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H12BrNO5S
IUPAC Name (2s)-2-acetamido-3-(2-bromo-3,6-dihydroxy-phenyl)sulfanyl-propanoic acid
Molecular Mass 350.186 g·mol−1
Heat of Formation -819.8 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 332.84 Å 3
Surface Area 289.63 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey XTPAFFFLMUYJNU-ZCFIWIBFSA-N
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Elements C H O N S Br