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

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Properties Simple | Detailed

Formula C25H37ClN7O3S
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 553.140 g·mol−1
Heat of Formation 223.2 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 672.53 Å 3
Surface Area 557.81 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey GLVPQZCTTHRANR-ZYGFWXSESA-N
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