4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)Amino]-3-Pyrrolidinyl}[4-(Trifluoromethyl)Benzyl]Sulfamoyl)Benzamide

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Properties Simple | Detailed

Formula C26H27F3N4O5S
IUPAC Name 4-[[(3s,4s)-4-[(3,5-dihydroxyphenyl)methylamino]pyrrolidin-3-yl]-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzamide
Molecular Mass 564.577 g·mol−1
Heat of Formation -1245.8 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 630.2 Å 3
Surface Area 454.66 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey IIHINZNRJBQIPW-ZEQRLZLVSA-N
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