N-(2-Phenylethyl)-2-(Phenylsulfanyl)-5-Sulfamoylnicotinamide

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Properties Simple | Detailed

Formula C20H19N3O3S2
IUPAC Name n-(2-phenylethyl)-2-phenylsulfanyl-5-sulfamoyl-pyridine-3-carboxamide
Molecular Mass 413.513 g·mol−1
Heat of Formation -179.3 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 469.55 Å 3
Surface Area 417.92 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey MGWPMEUXUFQQAQ-UHFFFAOYSA-N
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