2,4-Dichloro-N-[3-Cyano-6-(4-Hydroxybenzyl)-4,5,6,7-Tetrahydrothieno[2,3-C]Pyridin-2-Yl]-5-(4-Morpholinylsulfonyl)Benzamide

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Properties Simple | Detailed

Formula C26H24Cl2N4O5S2
IUPAC Name 2,4-dichloro-n-[(6s)-3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholinosulfonyl-benzamide
Molecular Mass 607.529 g·mol−1
Heat of Formation -457.1 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 641.22 Å 3
Surface Area 531.52 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
InChIKey VSLIZFRORGVSOU-UHFFFAOYSA-N
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Elements C Cl H O N S