(1S,4S)-6-[(4-Amino-2-Methyl-Pyrimidine-1,3-Diium-5-Id-5-Yl)Methyl]-4-Hydroxy-8-(2-Hydroxyethyl)-4,7-Dimethyl-Blahbicyclo[3.3.0]Oct-7-En-3-One

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Formula C15H22N4O4S
IUPAC Name (1s,4s)-6-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-4-hydroxy-8-(2-hydroxyethyl)-4,7-dimethyl-blahbicyclo[3.3.0]oct-7-en-3-one
Molecular Mass 354.425 g·mol−1
Heat of Formation -535.6 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 393.27 Å 3
Surface Area 331.42 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey PQWDOYJIUPTIMV-UVJYPQNSSA-N
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