4-{[(4-Cyanophenyl)(4H-1,2,4-Triazol-4-Yl)Amino]Methyl}Phenyl Sulfamate

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Properties Simple | Detailed

Formula C16H14N6O3S
IUPAC Name [4-[[4-cyano-n-(1,2,4-triazol-4-yl)anilino]methyl]phenyl] sulfamate
Molecular Mass 370.386 g·mol−1
Heat of Formation 174.1 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 408.11 Å 3
Surface Area 350.85 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-o-sulfamoylbenzyl)(4-cyanophenyl)amino]-4h-[1,2,4]-triazole
  • 4tz
  • [4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]phenyl] sulfamate
InChIKey WEXGHQDVDVWOIU-UHFFFAOYSA-N
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