Formula |
C15H16ClN5O4S |
IUPAC Name |
(2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid |
Molecular Mass |
397.837 g·mol−1 |
Heat of Formation |
-522.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.38 ± 1.08 D |
Volume |
519.28 Å 3 |
Surface Area |
347.52 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-1.53 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-2-pyrrolidinecarboxylic acid
- (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]proline
- (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid
- (2r)-1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid
- qgg
|
InChIKey |
MWEYSFQTTAFUFL-GFCCVEGCSA-N |
QR Code |
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Links |
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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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