Formula |
C20H25Cl2N3OS |
IUPAC Name |
2-(4,5-dichloro-2-isothiocyanato-phenyl)-n-methyl-n-[(1r,2r)-2-pyrrolidin-1-ylcyclohexyl]acetamide |
Molecular Mass |
426.403 g·mol−1 |
Heat of Formation |
-64.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.74 ± 1.08 D |
Volume |
502.82 Å 3 |
Surface Area |
395.92 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SPEPFQRDPVNKTR-RTBURBONSA-N |
QR Code |
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Links |
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Elements |
C
Cl
H
O
N
S
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