Ethyl [4-({[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl}Sulfanyl)Phenyl]Carbamate

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Formula C23H23Cl2N3O4S
IUPAC Name ethyl n-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(4h-imidazol-1-ium-4-id-3-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Molecular Mass 508.417 g·mol−1
Heat of Formation -470.1 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 556.08 Å 3
Surface Area 464.06 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey OGPIBXIQNMQSPY-WZONZLPQSA-N
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