3-Fluoro-N-[(1S)-1-[4-[(2-Fluorophenyl)Methyl]Imidazol-2-Yl]-2-[4-[(5S)-1,1,3-Trioxo-1,2-Thiazolidin-5-Yl]Phenyl]Ethyl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C27H22F2N4O5S2
IUPAC Name 3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-3-ium-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
Molecular Mass 584.614 g·mol−1
Heat of Formation 3434.1 ± 16.7 kJ·mol−1
Dipole Moment 15.26 ± 1.08 D
Volume 592.8 Å 3
Surface Area 520.83 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -3.08 ± eV
Point Group Symmetry C1
InChIKey VAXRFGMVKHOGJO-DQEYMECFSA-N
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