Bosutinib Isomer

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Properties Simple | Detailed

Formula C26H29Cl2N5O3
IUPAC Name 4-(3,5-dichloro-4-methoxy-anilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Molecular Mass 530.446 g·mol−1
Heat of Formation -83.9 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 612.33 Å 3
Surface Area 513.89 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey YCLIWTLPTXAGPQ-UHFFFAOYSA-N
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Elements H C Cl O N