| Formula |
C23H22ClN3OS |
| IUPAC Name |
1-(2-chlorophenyl)-n-(2-isothiocyanatoethyl)-n-[(1r)-1-methylpropyl]isoquinoline-3-carboxamide |
| Molecular Mass |
423.958 g·mol−1 |
| Heat of Formation |
142.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
0.51 ± 1.08 D |
| Volume |
499.95 Å 3 |
| Surface Area |
381.86 Å 2 |
| HOMO Energy |
-8.71 ± 0.55 eV |
| LUMO Energy |
-1.10 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GYLZUFACRMEFHA-MRXNPFEDSA-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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