(2R)-6-Methoxy-2-{[(4'-Methoxy-4-Biphenylyl)Sulfonyl]Amino}-4-Hexynoic Acid

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Formula C20H21NO6S
IUPAC Name (2r)-6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid
Molecular Mass 403.449 g·mol−1
Heat of Formation -638.2 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 468.06 Å 3
Surface Area 379.64 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid
  • r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
InChIKey QJKGJGURDPRKGW-LJQANCHMSA-N
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