Formula |
C14H17N3O2S |
IUPAC Name |
5-[(1r,2s)-2-methylpiperazin-1-yl]sulfonylisoquinoline |
Molecular Mass |
291.369 g·mol−1 |
Heat of Formation |
-112.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.38 ± 1.08 D |
Volume |
329.95 Å 3 |
Surface Area |
277.73 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
1.68 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 5-[(2s)-2-methylpiperazin-1-yl]sulfonylisoquinoline
- 5-[[(2s)-2-methyl-1-piperazinyl]sulfonyl]isoquinoline
- iqp
|
InChIKey |
BDVFVCGFMNCYPV-NSHDSACASA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
S
O
N
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