Formula |
C31H43F2N3O5S2 |
IUPAC Name |
n-ethyl-n-[1-[(e,3r)-6-fluoro-4-[(e)-2-fluorovinyl]-3-(1-methylsulfonyl-4-piperidyl)hex-5-enyl]-4-piperidyl]formamide; sulfur dioxide |
Molecular Mass |
639.817 g·mol−1 |
Heat of Formation |
-1194.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
14.79 ± 1.08 D |
Volume |
747.18 Å 3 |
Surface Area |
617.52 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
-0.41 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-mesyl-4-piperidyl)propyl]-4-piperidyl]-n-ethyl-2-(4-mesylphenyl)acetamide
- n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonyl-4-piperidinyl)propyl]-4-piperidinyl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
- n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonyl-4-piperidyl)propyl]-4-piperidyl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
- n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
- n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-n-ethyl-2-(4-methylsulfonylphenyl)ethanamide
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InChIKey |
QOSMEMHKXNNIGG-SSEXGKCCSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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