1-(3-Phenyl-1,2,4-Thiadiazol-5-Yl)-1,4-Diazepane

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Properties Simple | Detailed

Formula C13H16N4S
IUPAC Name 5-[(1r)-1,4-diazepan-1-yl]-3-phenyl-1,2,4-thiadiazole
Molecular Mass 260.358 g·mol−1
Heat of Formation 303.1 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 308.37 Å 3
Surface Area 279.45 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • aw 00426
  • oprea1_036742
  • sdccgmls-0065830.p001
InChIKey IENGAZSTLAONAR-UHFFFAOYSA-N
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Elements H C S N