(4-Azidophenyl)-[6-Hydroxy-2-(4-Hydroxyphenyl)Benzothiophen-3-Yl]Methanone

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Properties Simple | Detailed

Formula C21H14N3O3S
IUPAC Name (4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone
Molecular Mass 388.419 g·mol−1
Heat of Formation 151.5 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 436.05 Å 3
Surface Area 357.05 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey KTAUSYBODDJAQP-UHFFFAOYSA-N
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