N~2~-[(2R)-2-(3,5-Dichlorophenyl)-2-(Dimethylamino)Acetyl]-N-{[2-(Iminomethyl)-4-Pyrimidinyl]Methyl}-L-Isoleucinamide

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Formula C22H28Cl2N6O2
IUPAC Name (2s,3s)-2-[[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]amino]-n-[(2-methanimidoylpyrimidin-4-yl)methyl]-3-methyl-pentanamide
Molecular Mass 479.403 g·mol−1
Heat of Formation -143.0 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 569.06 Å 3
Surface Area 439.32 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey XBUAFLLXSYLZPV-KFOBKQQBSA-N
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Elements H C N O Cl