1-(2-Chloroethyl)-3-[(2S)-2-Hydroxy-3-(2-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)Propyl]-1-Nitroso-Urea
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H C N O Cl |