1-[(1R,2R,3S,5S,7S)-Adamantan-2-Yl]-3-{(2S)-1-[(3R)-3-(2-Chlorophenyl)-2-(2-Fluorophenyl)-1-Pyrazolidinyl]-1-Oxo-2-Propanyl}Urea

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Properties Simple | Detailed

Formula C29H34ClFN4O2
IUPAC Name 1-(2-adamantyl)-3-[(1s)-2-[(2s,3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-methyl-2-oxo-ethyl]urea
Molecular Mass 525.057 g·mol−1
Heat of Formation -404.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 610.92 Å 3
Surface Area 474.81 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey LXBLKHIMAYSNHU-XIQYYDOXSA-N
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Elements C Cl H F O N