4-({5-[(3R)-1,2-Dithiolan-3-Yl]Pentanoyl}Amino)Benzoic Acid

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Properties Simple | Detailed

Formula C15H19NO3S2
IUPAC Name 4-[5-[(3r)-dithiolan-3-yl]pentanoylamino]benzoic acid
Molecular Mass 325.446 g·mol−1
Heat of Formation -524.8 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 378.08 Å 3
Surface Area 351.92 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-[(3r)-1,2-dithiolan-3-yl]pentanoylamino]benzoic acid
  • 4-[[5-[(3r)-3-dithiolanyl]-1-oxopentyl]amino]benzoic acid
  • benzoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-, (r)-
  • l-paba
  • lipo-pab
  • lipoyl-4-aminobenzoic acid
  • lipoyl-p-aminobenzoate
CAS Number(s)
  • 129706-46-3
InChIKey NEBJBHGIXSLSNP-CYBMUJFWSA-N
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