2-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}-2-Deoxy-L-Glucopyranose

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Formula C9H16ClN3O7
IUPAC Name 1-(2-chloroethyl)-1-nitroso-3-[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea
Molecular Mass 313.692 g·mol−1
Heat of Formation -1126.4 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 328.21 Å 3
Surface Area 297.85 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey MYBLAOJMRYYKMS-YMVPXFTJSA-N
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Elements H C N O Cl