Thiazolium, 5-(2-(3-(1H-Indol-3-Yl)-1-Oxopropoxy)Ethyl)-3,4-Dimethyl-

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Properties Simple | Detailed

Formula C18H21N2O2S+
IUPAC Name 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl 3-(1h-indol-3-yl)propanoate
Molecular Mass 329.437 g·mol−1
Heat of Formation 2768.4 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 349.23 Å 3
Surface Area 333.3 Å 2
HOMO Energy -7.59 ± 0.55 eV
LUMO Energy -2.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl 3-(1h-indol-3-yl)propanoate
  • 2-(3,4-dimethylthiazolium)ethyl indole-3-propionate
  • 3-(1h-indol-3-yl)propanoic acid 2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl ester
  • 3-(1h-indol-3-yl)propionic acid 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl ester
  • dteip
CAS Number(s)
  • 88285-69-2
InChIKey AYMSEVUHPXVZTM-UHFFFAOYSA-N
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