6H-Thieno(3,2-F)(1,2,4)Triazolo(4,3-A)(1,4)Diazepine-9-Methanamine, 2-Chloro-4-(2-Chlorophenyl)-

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Formula C15H11Cl2N5S
IUPAC Name 6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9-methanamine, 2-chloro-4-(2-chlorophenyl)-
Molecular Mass 364.252 g·mol−1
Heat of Formation 491.3 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 378.62 Å 3
Surface Area 316.7 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(aminomethyl)-2-chloro-4-(o-chlorophenyl)-6h-thieno(3,2-f)-s-triazolo-(4,3-a)(1,4)diazepine
  • ro 11 7800
  • ro 11-7800
CAS Number(s)
  • 54123-40-9
InChIKey RGOKQIQTQRBIDH-UHFFFAOYSA-N
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Elements H S N C Cl