{4-[2,2-Bis(5-Methyl-1,2,4-Oxadiazol-3-Yl)-3-Phenylpropyl]Phenyl}Sulfamic Acid

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Properties Simple | Detailed

Formula C21H21N5O5S
IUPAC Name [4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenyl-propyl]phenyl]sulfamic acid
Molecular Mass 455.487 g·mol−1
Heat of Formation -226.7 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 506.25 Å 3
Surface Area 392.18 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4un
  • [4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl]sulfamic acid
InChIKey SXDBFKLPNPUPRI-UHFFFAOYSA-N
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