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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Elements |
C
Cl
H
O
N
S
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