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

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Properties Simple | Detailed

Formula C7H9BrClF2NO3S
IUPAC Name (2s)-2-acetamido-3-[(2r)-2-bromo-2-chloro-1,1-difluoro-ethyl]sulfanyl-propanoic acid
Molecular Mass 340.570 g·mol−1
Heat of Formation -1031.0 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 288.88 Å 3
Surface Area 250.0 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey FFSXNJGWJHTJHD-XINAWCOVSA-N
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Elements C F H Cl O N S Br