(16S,18S)-17-(4-Chloro-2-Hydroperoxy-Cyclobuten-1-Yl)-19-Methylene-N-[4-[2-(3H-Pyrrol-1-Ium-1-Yl)Ethynoxy]Phenyl]-Blah-24-Amine

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Properties Simple | Detailed

Formula C24H18ClN5O3
IUPAC Name (16s,18s)-17-(4-chloro-2-hydroperoxy-cyclobuten-1-yl)-19-methylene-n-[4-[2-(3h-pyrrol-1-ium-1-yl)ethynoxy]phenyl]-blah-24-amine
Molecular Mass 459.884 g·mol−1
Heat of Formation 4355.1 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 486.66 Å 3
Surface Area 443.54 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -2.69 ± eV
Point Group Symmetry C1
InChIKey CEDRABAQCMSIRW-UHFFFAOYSA-N
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Elements C N O Cl