Formula |
C25H32ClN7O3S |
IUPAC Name |
2-[[5-chloro-2-[(e)-[2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene]amino]pyrimidin-4-yl]amino]-n-isopropyl-benzenesulfonamide |
Molecular Mass |
546.085 g·mol−1 |
Heat of Formation |
3876.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.38 ± 1.08 D |
Volume |
570.9 Å 3 |
Surface Area |
499.99 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-2.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GLVPQZCTTHRANR-ZYGFWXSESA-N |
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Links |
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DOI |
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Elements |
C
Cl
S
O
N
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