1-(2-Chloroethyl)-3-[(2S)-2-Hydroxy-3-(2-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)Propyl]-1-Nitroso-Urea

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Properties Simple | Detailed

Formula C9H13ClN6O5
IUPAC Name 1-(2-chloroethyl)-3-[(2s)-2-hydroxy-3-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)propyl]-1-nitroso-urea
Molecular Mass 320.690 g·mol−1
Heat of Formation -258.5 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 342.31 Å 3
Surface Area 302.47 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey GROHLXZINBADBB-ZETCQYMHSA-N
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Elements H C N O Cl