Mycothiazole

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Properties Simple | Detailed

Formula C22H32N2O3S
IUPAC Name methyl n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]thiazol-2-yl]-7-hydroxy-8-methyl-3-methylene-non-4-enyl]carbamate
Molecular Mass 404.566 g·mol−1
Heat of Formation -387.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 526.34 Å 3
Surface Area 368.95 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • methyl n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]-7-hydroxy-8-methyl-3-methylidene-non-4-enyl]carbamate
  • methyl n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]-7-hydroxy-8-methyl-3-methylidenenon-4-enyl]carbamate
  • methyl n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]thiazol-2-yl]-7-hydroxy-8-methyl-3-methylene-non-4-enyl]carbamate
  • n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]-2-thiazolyl]-7-hydroxy-8-methyl-3-methylenenon-4-enyl]carbamic acid methyl ester
  • n-[(z,7r)-8-[4-[(2z)-hexa-2,5-dienyl]thiazol-2-yl]-7-hydroxy-8-methyl-3-methylene-non-4-enyl]carbamic acid methyl ester
InChIKey WOVFSYAJXQSJES-OEKGKEFLSA-N
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