(3Z)-5-[(2,6-Dichlorobenzyl)Sulfonyl]-3-[(3,5-Dimethyl-4-{[(2S)-2-(1-Pyrrolidinylmethyl)-1-Pyrrolidinyl]Carbonyl}-1H-Pyrrol-2-Yl)Methylene]-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C32H34Cl2N4O4S
IUPAC Name (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrol-1-ium-3-id-2-yl]methylene]indolin-2-one
Molecular Mass 641.608 g·mol−1
Heat of Formation -482.6 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 714.73 Å 3
Surface Area 583.09 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey OYONTEXKYJZFHA-MVUTXWCHSA-N
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