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 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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