5-[(2-Aminoethyl)Amino]-2-[2-(Diethylamino)Ethyl]-1,2-Dihydro-8H-Thiochromeno[4,3,2-Cd]Indazol-8-One

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Formula C21H27N5OS
IUPAC Name 10-(2-aminoethylamino)-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one
Molecular Mass 397.537 g·mol−1
Heat of Formation 229.5 ± 16.7 kJ·mol−1
Dipole Moment 9.10 ± 1.08 D
Volume 479.79 Å 3
Surface Area 386.8 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey IMMFHFBXRWAZGX-UHFFFAOYSA-N
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