(2S,3S)-2-Amino-3-{3-[4-(Methylsulfonyl)Phenyl]-1,2,4-Oxadiazol-5-Yl}-1-(1-Pyrrolidinyl)-1-Butanone

Molecule SVG Image

Properties Simple | Detailed

Formula C17H22N4O4S
IUPAC Name (2s,3s)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-yl-butan-1-one
Molecular Mass 378.446 g·mol−1
Heat of Formation -372.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 432.62 Å 3
Surface Area 351.78 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-amino-3-[3-(4-mesylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-yl-butan-1-one
  • (2s,3s)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-1-pyrrolidinylbutan-1-one
  • (2s,3s)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-yl-butan-1-one
  • (2s,3s)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylbutan-1-one
InChIKey SQCDMTZMCHZYGO-FZMZJTMJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N