2,4-Dichloro-N-{3-Cyano-6-[4-(1H-Tetrazol-5-Yl)Benzyl]-4,5,6,7-Tetrahydrothieno[2,3-C]Pyridin-2-Yl}-5-(4-Morpholinylsulfonyl)Benzamide

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Properties Simple | Detailed

Formula C27H24Cl2N8O4S2
IUPAC Name 2,4-dichloro-n-[(6s)-3-cyano-6-[[4-(3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)phenyl]methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholinosulfonyl-benzamide
Molecular Mass 659.567 g·mol−1
Heat of Formation 58.3 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 691.22 Å 3
Surface Area 574.53 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
InChIKey KXJHJZRFLLSTJD-UHFFFAOYSA-N
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