[(2S)-4-Methyl-3-Oxo-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepin-2-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C12H14N2O3
IUPAC Name 2-[(2s)-4-methyl-3-oxo-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
Molecular Mass 234.251 g·mol−1
Heat of Formation -447.4 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 273.48 Å 3
Surface Area 244.89 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s)-3-keto-4-methyl-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[(2s)-4-methyl-3-oxo-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[(2s)-4-methyl-3-oxo-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]ethanoic acid
InChIKey CLWDLBDPVUWYEW-JTQLQIEISA-N
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