2-{2-[(3-Carbamoylphenyl)Carbamoyl]-6-Methoxy-3-Pyridinyl}-5-{[(2S)-1-Hydroxy-3,3-Dimethyl-2-Butanyl]Carbamoyl}Benzoic Acid

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Properties Simple | Detailed

Formula C28H30N4O7
IUPAC Name 2-[2-[(3-carbamoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[(1s)-1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid
Molecular Mass 534.560 g·mol−1
Heat of Formation -1002.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 621.22 Å 3
Surface Area 523.63 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey QOJVSMMGUMUYEI-OAQYLSRUSA-N
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