Zomepirac

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Properties Simple | Detailed

Formula C15H14ClNO3
IUPAC Name 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid
Molecular Mass 291.730 g·mol−1
Heat of Formation -416.0 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 331.61 Å 3
Surface Area 295.59 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
  • 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
  • 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoic acid
  • 2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]acetic acid
  • 5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrole-2-acetic acid
  • [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid
  • bpbio1_000944
  • {5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1h-pyrrol-2-yl}acetic acid
CAS Number(s)
  • 33369-31-2
InChIKey ZXVNMYWKKDOREA-UHFFFAOYSA-N
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