N-Acetyl-S-(1,1-Dibromo-2,2-Difluoroethyl)-L-Cysteine

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Properties Simple | Detailed

Formula C7H9Br2F2NO3S
IUPAC Name (2s)-2-acetamido-3-(1,1-dibromo-2,2-difluoro-ethyl)sulfanyl-propanoic acid
Molecular Mass 385.021 g·mol−1
Heat of Formation -953.7 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 300.21 Å 3
Surface Area 257.2 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey XVSSOUNHNGSSKQ-SCSAIBSYSA-N
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Elements C F H O N S Br