7-[4-[[4-[[(1R)-3-(Dimethylamino)-1-(Phenylsulfanylmethyl)Propyl]Amino]-3-Nitro-Phenyl]Sulfonylcarbamoyl]-2-Methyl-Phenyl]-3-[3-(1-Naphthyloxy)Propyl]-4H-Pyrazolo[1,5-A]Pyridin-8-Ium-4-Ide-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C47H47N6O8S2+
IUPAC Name 7-[4-[[4-[[(1r)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]-2-methyl-phenyl]-3-[3-(1-naphthyloxy)propyl]-4h-pyrazolo[1,5-a]pyridin-8-ium-4-ide-2-carboxylic acid
Molecular Mass 888.042 g·mol−1
Heat of Formation -397.4 ± 16.7 kJ·mol−1
Dipole Moment 10.33 ± 1.08 D
Volume 1040.58 Å 3
Surface Area 846.71 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey VEVMXSQIHDFFDW-UUWRZZSWSA-O
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