Evofosfamide

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Properties Simple | Detailed

Formula C9H16Br2N5O4P
IUPAC Name 2-bromo-n-[(2-bromoethylamino)-[(3-methyl-2-nitro-imidazol-3-ium-4-ylium-4-yl)methoxy]phosphoryl]ethanamine
Molecular Mass 449.036 g·mol−1
Heat of Formation -406.5 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 395.0 Å 3
Surface Area 323.15 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[(2-bromoethylamino)-[(3-methyl-2-nitro-4-imidazolyl)methoxy]phosphoryl]ethanamine
  • 2-bromo-n-[(2-bromoethylamino)-[(3-methyl-2-nitro-imidazol-4-yl)methoxy]phosphoryl]ethanamine
  • 2-bromoethyl-[(2-bromoethylamino)-[(3-methyl-2-nitro-imidazol-4-yl)methoxy]phosphoryl]amine
InChIKey UGJWRPJDTDGERK-UHFFFAOYSA-N
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Elements C H O N P Br