N~7~-(3-Chlorophenyl)-N~2~-({7-[(3-Chlorophenyl)Sulfamoyl]-3,4-Dihydro-2(1H)-Isoquinolinyl}Sulfonyl)-3,4-Dihydro-2,7(1H)-Isoquinolinedisulfonamide

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Properties Simple | Detailed

Formula C30H29Cl2N5O8S4
IUPAC Name (2s)-n7-(3-chlorophenyl)-n2-[[(2s)-7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1h-isoquinolin-2-yl]sulfonyl]-3,4-dihydro-1h-isoquinoline-2,7-disulfonamide
Molecular Mass 786.746 g·mol−1
Heat of Formation -1132.4 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 790.56 Å 3
Surface Area 487.9 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • n'-(3-chlorophenyl)-n-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1h-isoquinolin-2-yl]sulfonyl]-3,4-dihydro-1h-isoquinoline-2,7-disulfonamide
  • sk&f-88046
InChIKey QNULJJUWGODZJT-UHFFFAOYSA-N
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