6-[4-Amino-1-[[2-(4-Methylpiperazin-1-Yl)Quinolin-1-Ium-4A-Id-3-Yl]Methyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl]-1,3-Benzothiazol-3-Ium-6-Id-2-Amine

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Properties Simple | Detailed

Formula C27H29N10S
IUPAC Name 6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-1-ium-4a-id-3-yl]methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-1,3-benzothiazol-3-ium-6-id-2-amine
Molecular Mass 525.651 g·mol−1
Heat of Formation 757.5 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 602.72 Å 3
Surface Area 474.4 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey MHSGASSQKTZZSE-UHFFFAOYSA-O
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