4-Methyl-1,4-Diazepane-1-Carbodithioic Acid

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Formula C7H14N2S2
IUPAC Name (4r)-4-methyl-1,4-diazepane-1-carbodithioic acid
Molecular Mass 190.329 g·mol−1
Heat of Formation 96.1 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 231.95 Å 3
Surface Area 212.6 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,4-diazepine-1-carbodithioic acid, hexahydro-4-methyl-
  • 4-methyl-1-homopiperazinedithiocarboxylic acid
  • fla 57
  • fla-57
  • hexahydro-4-methyl-1h-1,4-diazepine-1-carbodithioic acid
CAS Number(s)
  • 26865-04-3
InChIKey UMRORFKGYQPUGR-UHFFFAOYSA-N
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