(4S,11Z,14S)-4-Hydroxy-5,7-Dimethyl-14-[(E)-2-(2-Methyl-1,3-Thiazol-4-Yl)Vinyl]Oxacyclotetradec-11-Ene-2,6-Dione

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Properties Simple | Detailed

Formula C21H29NO4S
IUPAC Name (4s,5r,7s,11z,14s)-4-hydroxy-5,7-dimethyl-14-[(e)-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclotetradec-11-ene-2,6-dione
Molecular Mass 391.524 g·mol−1
Heat of Formation -668.6 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 484.5 Å 3
Surface Area 395.94 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey OAXHQZGPHDPLOS-KNTXWGBASA-N
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