(2S,3S)-3-Amino-4-(3,3-Difluoro-1-Pyrrolidinyl)-N,N-Dimethyl-4-Oxo-2-[Trans-4-([1,2,4]Triazolo[1,5-A]Pyridin-6-Yl)Cyclohexyl]Butanamide

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Properties Simple | Detailed

Formula C22H31F2N6O2+
IUPAC Name (2s,3s)-3-amino-2-[4-(9-aza-1-azonia-7-azanidabicyclo[4.3.0]nona-1,3,5,8-tetraen-3-yl)cyclohexyl]-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-butanamide
Molecular Mass 449.517 g·mol−1
Heat of Formation -584.4 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 530.62 Å 3
Surface Area 424.62 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey JNAZOMVWUGPITI-LNMJFAINSA-N
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