5-(1-Azido-2-Chloroethyl)-1-[4-Hydroxy-3-(Hydroxymethyl)Butyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H6ClN5O4
IUPAC Name [(z)-4-chloro-3-(iminoiminioamino)-2-[[[4-oxo-3-(oxomethylene)but-3-en-1-ynyl]amino]methyl]but-2-enoyl]-(oxomethylene)ammonium
Molecular Mass 307.649 g·mol−1
Heat of Formation 836.6 ± 16.7 kJ·mol−1
Dipole Moment 23.88 ± 1.08 D
Volume 315.01 Å 3
Surface Area 290.88 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -3.47 ± eV
Point Group Symmetry C1
InChIKey NMHIHYDZSKBGJH-SECBINFHSA-N
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Elements C N O Cl