(6Z)-4-Fluoro-6-[(4Z)-4-{[(3S,4R)-4-(2-Hydroxy-2-Propanyl)-3-Pyrrolidinyl]Imino}-6,7-Dimethoxy-3,4-Dihydro-2(1H)-Quinazolinylidene]-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C23H28FN4O4+
IUPAC Name (6z)-4-fluoro-6-[4-[[(3s,4r)-4-(1-hydroxy-1-methyl-ethyl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-quinazolin-1-ium-3-id-2-ylidene]cyclohexa-2,4-dien-1-one
Molecular Mass 443.491 g·mol−1
Heat of Formation -625.5 ± 16.7 kJ·mol−1
Dipole Moment 10.31 ± 1.08 D
Volume 513.05 Å 3
Surface Area 427.78 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey IXTQNANZDPZION-KFXCQKJJSA-N
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