(2E,5S)-6,6,6-Trichloro-3-Methoxy-N,5-Dimethyl-N-[(1S)-2-Phenyl-1-(1,3-Thiazol-2-Yl)Ethyl]-2-Hexenamide

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Properties Simple | Detailed

Formula C20H23Cl3N2O2S
IUPAC Name (e,5s)-6,6,6-trichloro-3-methoxy-n,5-dimethyl-n-[(1s)-2-phenyl-1-thiazol-2-yl-ethyl]hex-2-enamide
Molecular Mass 461.833 g·mol−1
Heat of Formation -245.7 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 509.58 Å 3
Surface Area 390.8 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (e,5s)-6,6,6-trichloro-3-methoxy-n,5-dimethyl-n-[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
  • (e,5s)-6,6,6-trichloro-3-methoxy-n,5-dimethyl-n-[(1s)-2-phenyl-1-(2-thiazolyl)ethyl]hex-2-enamide
  • (e,5s)-6,6,6-trichloro-3-methoxy-n,5-dimethyl-n-[(1s)-2-phenyl-1-thiazol-2-yl-ethyl]hex-2-enamide
  • barbamide
InChIKey UGNRFJOMRFTXSQ-ITRHSTPOSA-N
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