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

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Properties Simple | Detailed

Formula C24H32N4O2S2
IUPAC Name 1-[(4-aminophenyl)methyl]-3-[(1s)-3-methylsulfanyl-1-[(2r)-2-(2-methylsulfanylphenyl)pyrrolidine-1-carbonyl]propyl]urea
Molecular Mass 472.666 g·mol−1
Heat of Formation -228.8 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 579.99 Å 3
Surface Area 496.28 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
InChIKey SXQHCTVKKRKZEF-LEWJYISDSA-N
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