3-(1,1-Dioxido-1,2-Thiazinan-2-Yl)-5-(Ethylamino)-2-Fluoro-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]Benzamide

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Properties Simple | Detailed

Formula C22H19F4N4O4S
IUPAC Name (e)-[3-(1,1-dioxothiazinan-2-yl)-2,4-difluoro-5-methylidyneammonio-benzoyl]-[1-[2-(ethynylamino)acetyl]-4-methyl-pent-4-en-2-ynylidene]ammonium; molecular fluorine
Molecular Mass 511.469 g·mol−1
Heat of Formation -1337.9 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 722.8 Å 3
Surface Area 583.19 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey DGEILIRHSDUTDK-XTEPFMGCSA-N
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