Formula |
C21H27N3O3S |
IUPAC Name |
4-[4-[2-[(1r)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide |
Molecular Mass |
401.522 g·mol−1 |
Heat of Formation |
-299.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.05 ± 1.08 D |
Volume |
473.13 Å 3 |
Surface Area |
407.7 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[4-[2-[(1r)-1-isochromanyl]ethyl]-1-piperazinyl]benzenesulfonamide
- 4-[4-[2-[(1r)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
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InChIKey |
WNUQCGWXPNGORO-OAQYLSRUSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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