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
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InChIKey |
BNBDPYUSBJEPGX-UUWRZZSWSA-N |
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Elements |
S
C
O
N
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