3-((5-Chlorobenzothiazol-2-Yl)Methyl)-1,2,3,4-Tetrahydro-2,4-Dioxopyrimidine-1-Acetic Acid

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Properties Simple | Detailed

Formula C14H10ClN3O4S++
IUPAC Name 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetic acid
Molecular Mass 351.765 g·mol−1
Heat of Formation -471.7 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 364.33 Å 3
Surface Area 323.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-diketo-pyrimidin-1-yl]acetic acid
  • 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-1-pyrimidinyl]acetic acid
  • 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-pyrimidin-1-yl]ethanoic acid
InChIKey RQWICELTTDJODO-UHFFFAOYSA-N
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