2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2-(Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid

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Formula C27H25Cl2N3O3S
IUPAC Name 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-[2-[3-[[2-[2-(methylamino)ethylamino]acetyl]amino]phenyl]ethynyl]benzoic acid
Molecular Mass 542.477 g·mol−1
Heat of Formation -78.0 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 615.19 Å 3
Surface Area 561.49 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey ZFBIDSCNZFTQMQ-UHFFFAOYSA-N
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