4-{[5-(Cyclohexylamino)[1,2,4]Triazolo[1,5-A]Pyrimidin-7-Yl]Amino}Benzenesulfonamide

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Properties Simple | Detailed

Formula C17H22N7O2S+
IUPAC Name 4-[[4-(cyclohexylamino)-5,7-diaza-1-azonia-9-azanidabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-2-yl]amino]benzenesulfonamide
Molecular Mass 388.467 g·mol−1
Heat of Formation 86.3 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 435.94 Å 3
Surface Area 386.63 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey VPOGRVWIIVMWRI-UHFFFAOYSA-N
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