2-{3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-(2-Hydroxyethyl)-4-Methyl-1,3-Thiazol-3-Ium-2-Yl}-2-Hydroxypropanoate

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Properties Simple | Detailed

Formula C15H21N4O4S
IUPAC Name (1z)-1-[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-2-ylidene]ethanol; carbon dioxide
Molecular Mass 353.417 g·mol−1
Heat of Formation -572.7 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 415.91 Å 3
Surface Area 340.1 Å 2
HOMO Energy -7.38 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey DDZPSVZOYAVAJF-OAHLLOKOSA-N
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