8-[4-(Methylsulfonyl)Phenyl]-N-[4-(4-Morpholinyl)Phenyl][1,2,4]Triazolo[1,5-A]Pyridin-2-Amine

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Formula C23H23N5O3S
IUPAC Name 5-(4-methylsulfonylphenyl)-n-(4-morpholinophenyl)-9-aza-1-azonia-7-azanidabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-8-amine
Molecular Mass 449.525 g·mol−1
Heat of Formation 73.3 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 504.07 Å 3
Surface Area 448.33 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey UUVZHZJBZYONMR-UHFFFAOYSA-N
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