2,2-Difluoro-6-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfinyl}-5H-[1,3]Dioxolo[4,5-F]Benzimidazole

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Properties Simple | Detailed

Formula C16H13F2N3O4S
IUPAC Name 2,2-difluoro-6-[(r)-(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-[1,3]dioxolo[4,5-f]benzimidazol-5-ium
Molecular Mass 381.354 g·mol−1
Heat of Formation -700.0 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 389.95 Å 3
Surface Area 350.58 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey HJUSJYIODNLSRR-AREMUKBSSA-N
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