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

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Properties Simple | Detailed

Formula C7H9BrClF2NO3S
IUPAC Name (2s)-2-acetamido-3-[(2s)-2-bromo-2-chloro-1,1-difluoro-ethyl]sulfanyl-propanoic acid
Molecular Mass 340.570 g·mol−1
Heat of Formation -1029.6 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 295.39 Å 3
Surface Area 250.08 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey FFSXNJGWJHTJHD-NJGYIYPDSA-N
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Elements C F H Cl O N S Br