Formula |
C20H22N2O4S |
IUPAC Name |
methyl (4r)-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate |
Molecular Mass |
386.465 g·mol−1 |
Heat of Formation |
-264.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.71 ± 1.08 D |
Volume |
455.65 Å 3 |
Surface Area |
365.91 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UTLPUICHKZBRCI-QGZVFWFLSA-N |
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Elements |
H
C
S
O
N
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