N-Acetyl-S-[1-(2-Chlorophenyl)-3-Oxononyl]Cysteine

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Properties Simple | Detailed

Formula C20H28ClNO4S
IUPAC Name 2-acetamido-3-[1-(2-chlorophenyl)-3-oxononyl]sulfanylpropanoate
Molecular Mass 413.959 g·mol−1
Heat of Formation 2458.0 ± 16.7 kJ·mol−1
Dipole Moment 9.95 ± 1.08 D
Volume 370.78 Å 3
Surface Area 314.49 Å 2
HOMO Energy -7.17 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey QSKPZKQBDISPJO-OALUTQOASA-M
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Elements S N C O Cl