N-Acetyl-S-{[(4-Cyanophenyl)Amino]Methyl}-L-Cysteine

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Properties Simple | Detailed

Formula C13H15N3O3S
IUPAC Name (2s)-2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid
Molecular Mass 293.342 g·mol−1
Heat of Formation -344.0 ± 16.7 kJ·mol−1
Dipole Moment 8.18 ± 1.08 D
Volume 346.47 Å 3
Surface Area 319.71 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey YBDZQNQPSNNEHQ-GFCCVEGCSA-N
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