4-Methoxy-N-Phenyl-3-({3-[(1H-Pyrrolo[2,3-B]Pyridin-5-Ylmethyl)Sulfanyl]Propanoyl}Amino)Benzamide

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Formula C25H24N4O3S
IUPAC Name 4-methoxy-n-phenyl-3-[3-(pyrrolo[2,3-b]pyridin-5-ylmethylsulfanyl)propanoylamino]benzamide
Molecular Mass 460.548 g·mol−1
Heat of Formation -101.9 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 534.39 Å 3
Surface Area 489.64 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey NNMDRKWRQGOYCR-UHFFFAOYSA-N
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