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 |
-216.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.58 ± 1.08 D |
Volume |
342.88 Å 3 |
Surface Area |
299.46 Å 2 |
HOMO Energy |
-10.06 ± 0.55 eV |
LUMO Energy |
1.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZTORIAQXOHCLRD-ZETCQYMHSA-N |
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Elements |
H
C
N
O
Cl
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