(4S,7R,8S)-18-Benzyl-4-Isopropyl-7,11-Dimethyl-6-Oxa-13,20-Dithia-3,10,17,22,23,24-Hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]Tetracosa-5(24),12(23),19(22)-Triene-2,9,16-Trione

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Formula C27H34N6O4S2
IUPAC Name (4s,7r,8s,11s,18s)-18-benzyl-4-isopropyl-7,11-dimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1 5,8 .1 12,15 ]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione
Molecular Mass 570.727 g·mol−1
Heat of Formation -448.6 ± 16.7 kJ·mol−1
Dipole Moment 7.85 ± 1.08 D
Volume 689.17 Å 3
Surface Area 490.09 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey WNSIWZVQPOAVNY-YLEISWEHSA-N
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