N-(3-{1-[(1S)-1-[3-(Cyclopropylmethoxy)-4-(Difluoromethoxy)Phenyl]-2-(1-Oxido-4-Pyridinyl)Ethyl]-1H-Pyrazol-3-Yl}Phenyl)Acetamide

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Properties Simple | Detailed

Formula C29H28F2N4O4
IUPAC Name n-[3-[2-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxo-2h-pyridin-1-ium-2-ylium-4-yl)ethyl]-3h-pyrazol-2-ium-3-ylium-5-yl]phenyl]acetamide
Molecular Mass 534.554 g·mol−1
Heat of Formation -426.7 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 620.41 Å 3
Surface Area 490.45 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey QEFVLMGONWRDJH-SANMLTNESA-N
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