Formula |
C29H32N2O6S |
IUPAC Name |
(2s)-2-[2-[3-[2-(6,7-dihydro-4h-1,3-benzodioxole-4,6,7-triid-5-yloxy)ethyl-methyl-amino]propoxy]-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one |
Molecular Mass |
536.639 g·mol−1 |
Heat of Formation |
734.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
27.49 ± 1.08 D |
Volume |
618.87 Å 3 |
Surface Area |
471.66 Å 2 |
HOMO Energy |
-6.19 ± 0.55 eV |
LUMO Energy |
-2.64 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propoxy]-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one
- (2s)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
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InChIKey |
RKXVEXUAWGRFNP-NDEPHWFRSA-N |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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