1-(2-Chloroethyl)-3-[2-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2-(Methylsulfanyl)Ethyl]-1-Nitrosourea

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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