N-[5-(4-Bromophenyl)-6-{2-[(5-Bromo-2-Pyrimidinyl)Oxy]Ethoxy}-4-Pyrimidinyl]Sulfuric Diamide

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Properties Simple | Detailed

Formula C16H14Br2N6O4S
IUPAC Name 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
Molecular Mass 546.193 g·mol−1
Heat of Formation -244.6 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 479.22 Å 3
Surface Area 373.96 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey DKULOVKANLVDEA-UHFFFAOYSA-N
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Elements C H O N S Br