7-{3-[2-(Cyclopropylmethyl)-3-Methoxy-4-(1,3-Thiazol-4-Yl)Phenoxy]Propoxy}-8-Propyl-2-Chromanecarboxylic Acid

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Properties Simple | Detailed

Formula C30H36NO6S
IUPAC Name (2r)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(5h-thiazol-3-ium-5-id-4-yl)phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid
Molecular Mass 538.675 g·mol−1
Heat of Formation -737.3 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 650.09 Å 3
Surface Area 527.71 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey NFHKAMAWIQHXAT-MHZLTWQESA-N
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