1-(4-Aminobenzyl)-3-(2-{(2R)-2-[2-(Methylsulfanyl)Phenyl]-1-Pyrrolidinyl}-2-Oxoethyl)Urea

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Formula C21H26N4O2S
IUPAC Name 1-[(4-aminophenyl)methyl]-3-[2-[(2r)-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]urea
Molecular Mass 398.522 g·mol−1
Heat of Formation -210.3 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 481.72 Å 3
Surface Area 414.26 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey BWOIOAFNMATNEP-GOSISDBHSA-N
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