Damituricin

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Properties Simple | Detailed

Formula C12H15BrN2O4
IUPAC Name (2r,4r)-4-(4-bromopyrrol-1-ium-2-ylium-2-carbonyl)oxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylate
Molecular Mass 331.163 g·mol−1
Heat of Formation -493.4 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 326.76 Å 3
Surface Area 287.73 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-4-(4-bromo1h-pyrrole-2-carbonyl)oxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylate
  • (2r,4r)-4-(4-bromo1h-pyrrole-2-carbonyl)oxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
  • (2r,4r)-4-[(4-bromo-1h-pyrrol-2-yl)-oxomethoxy]-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate
  • (2r,4r)-4-[(4-bromo-1h-pyrrol-2-yl)carbonyloxy]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylate
InChIKey STWZXBZABSCBFO-PSASIEDQSA-N
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Elements H C O Br N