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

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Formula C23H24N5O3S+
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 450.533 g·mol−1
Heat of Formation 73.9 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 502.14 Å 3
Surface Area 448.06 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey UUVZHZJBZYONMR-UHFFFAOYSA-N
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