Formula |
C10H13ClFN5O4S |
IUPAC Name |
1-(2-chloroethyl)-3-[(2r)-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-methylsulfanyl-ethyl]-1-nitroso-urea |
Molecular Mass |
353.758 g·mol−1 |
Heat of Formation |
-655.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.58 ± 1.08 D |
Volume |
377.5 Å 3 |
Surface Area |
324.74 Å 2 |
HOMO Energy |
-9.48 ± 0.55 eV |
LUMO Energy |
-1.16 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PDHDKLAKLKCEPQ-SSDOTTSWSA-N |
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Elements |
C
F
H
Cl
O
N
S
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