(2As,3R,4S,5As,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)(Hydroxy)Methyl]-3-Methyl-2,2A,3,4,5,5A,6,7-Octahydro-1H-1,8,8B-Triazaacenaphthylen-4-Yl Hydrogen Sulfate

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Formula C15H21N5O7S
IUPAC Name (2as,3r,4s,5as,7r)-7-[(r)-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1h-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate
Molecular Mass 415.422 g·mol−1
Heat of Formation -1119.4 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 440.91 Å 3
Surface Area 372.32 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey LHJPHMKIGRLKDR-VDPNAHCISA-N
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