N-Methyl-Nalpha-[(5-Thioxo-4,5-Dihydro-1,3,4-Thiadiazol-2-Yl)Carbamoyl]-L-Phenylalaninamide

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Formula C13H15N5O2S2
IUPAC Name (2s)-n-methyl-3-phenyl-2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide
Molecular Mass 337.421 g·mol−1
Heat of Formation 5.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 385.65 Å 3
Surface Area 352.25 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
  • att
InChIKey RKWXKADYTDWZIJ-VIFPVBQESA-N
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