| Formula |
C22H21ClN4O4S2 |
| IUPAC Name |
(4s)-4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridin-1-ium-2-yl]methyl]piperazin-2-one |
| Molecular Mass |
505.010 g·mol−1 |
| Heat of Formation |
-314.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.57 ± 1.08 D |
| Volume |
546.43 Å 3 |
| Surface Area |
439.47 Å 2 |
| HOMO Energy |
-8.61 ± 0.55 eV |
| LUMO Energy |
1.44 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[1-(2-hydroxyethyl)pyrrolo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
- 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[1-(2-hydroxyethyl)pyrrolo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
- 4-[(6-chloro-2-benzothiophenyl)sulfonyl]-1-[[1-(2-hydroxyethyl)-2-pyrrolo[4,5-c]pyridinyl]methyl]-2-piperazinone
- rdr
|
| InChIKey |
NZNFLUOJACWZKX-UHFFFAOYSA-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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