4-[4-[[2-(4-Chlorophenyl)-6-[2-(Dimethylamino)Ethoxy]Phenyl]Methyl]Piperazin-1-Yl]-2-Indol-1-Ium-5-Yloxy-N-[3-Nitro-4-(Tetrahydropyran-4-Ylmethylamino)Phenyl]Sulfonyl-Benzamide

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Properties Simple | Detailed

Formula C48H52ClN7O8S
IUPAC Name 4-[4-[[2-(4-chlorophenyl)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperazin-1-yl]-2-indol-1-ium-5-yloxy-n-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide
Molecular Mass 922.487 g·mol−1
Heat of Formation -516.9 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 1067.19 Å 3
Surface Area 859.83 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey LPOCBUPTXGQAHL-UHFFFAOYSA-N
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