7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(Phenylsulfanyl)-2-Butanyl]Amino}-3-Nitrophenyl)Sulfonyl]Carbamoyl}-2-Methylphenyl)-3-[3-(1-Naphthyloxy)Propyl]Pyrazolo[1,5-A]Pyridine-2-Carboxylic Acid

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Formula C47H46N6O8S2
IUPAC Name 7-[4-[[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]-2-methyl-phenyl]-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
Molecular Mass 887.034 g·mol−1
Heat of Formation 6937.6 ± 16.7 kJ·mol−1
Dipole Moment 14.16 ± 1.08 D
Volume 946.32 Å 3
Surface Area 846.55 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -3.50 ± eV
Point Group Symmetry C1
InChIKey BNBDPYUSBJEPGX-UUWRZZSWSA-N
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