3-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}-3-Deoxy-D-Allopyranose

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Formula C9H16ClN3O7
IUPAC Name 1-(2-chloroethyl)-1-nitroso-3-[(2s,3r,4r,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]urea
Molecular Mass 313.692 g·mol−1
Heat of Formation -1133.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 333.74 Å 3
Surface Area 299.26 Å 2
HOMO Energy -10.49 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey ZKTZGYZXXCOLPV-YMVPXFTJSA-N
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Elements H C N O Cl