| Formula |
C20H22ClN3O2S |
| IUPAC Name |
2-chloro-4-[[(1s,3s)-1-methylsulfonylpyrrolidin-3-yl]-(o-tolylmethyl)amino]benzonitrile |
| Molecular Mass |
403.926 g·mol−1 |
| Heat of Formation |
-99.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.89 ± 1.08 D |
| Volume |
467.99 Å 3 |
| Surface Area |
390.33 Å 2 |
| HOMO Energy |
-8.82 ± 0.55 eV |
| LUMO Energy |
-0.70 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-chloro-4-[(2-methylphenyl)methyl-[(3s)-1-methylsulfonyl-3-pyrrolidinyl]amino]benzonitrile
- 2-chloro-4-[(2-methylphenyl)methyl-[(3s)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile
- 2-chloro-4-[[(3s)-1-mesylpyrrolidin-3-yl]-(2-methylbenzyl)amino]benzonitrile
|
| InChIKey |
OTRAFCFYTZJLKH-IBGZPJMESA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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