(3E)-N-[(1S)-2-(Dimethylamino)-1-Phenylethyl]-6,6-Dimethyl-3-[(2-Methylthieno[3,2-D]Pyrimidin-4-Yl)Imino]-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(3H)-Carboxamide

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Formula C25H28N8OS
IUPAC Name (3e)-n-[(1s)-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)imino-4h-pyrrolo[3,4-c]pyrazole-5-carboxamide
Molecular Mass 488.608 g·mol−1
Heat of Formation 586.5 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 588.02 Å 3
Surface Area 476.52 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey JTNVXNKEXQGDNF-SQQMWKICSA-N
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