Formula |
C16H21N3O2S |
IUPAC Name |
4-methyl-5-[[(1s,2s)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline |
Molecular Mass |
319.422 g·mol−1 |
Heat of Formation |
-143.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.07 ± 1.08 D |
Volume |
368.56 Å 3 |
Surface Area |
301.86 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-1.53 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
- 4-methyl-5-[[(2s)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
|
InChIKey |
AWDORCFLUJZUQS-ZDUSSCGKSA-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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