S-(2-Bromo-2-Chloro-1,1-Difluoroethyl)Cysteine

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Properties Simple | Detailed

Formula C5H7BrClF2NO2S
IUPAC Name (2r)-2-amino-3-[(2r)-2-bromo-2-chloro-1,1-difluoro-ethyl]sulfanyl-propanoic acid
Molecular Mass 298.533 g·mol−1
Heat of Formation -794.9 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 250.89 Å 3
Surface Area 231.82 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey AJZBCQOOORDXSP-OKKQSCSOSA-N
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Elements C F H Cl O N S Br