N-[2-[4-(Cyclohexylcarbamoylsulfamoyl)Phenyl]Ethyl]-1-Ethyl-4-Isopentyloxy-3-Methyl-Pyrazolo[3,4-B]Pyridin-7-Ium-3A-Ide-5-Carboxamide

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Properties Simple | Detailed

Formula C30H43N6O5S
IUPAC Name n-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-4-isopentyloxy-3-methyl-pyrazolo[3,4-b]pyridin-7-ium-3a-ide-5-carboxamide
Molecular Mass 599.765 g·mol−1
Heat of Formation -802.7 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 722.07 Å 3
Surface Area 505.48 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey IECMIGYPSVNVFE-UHFFFAOYSA-O
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