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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Links |
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Elements |
H
C
N
O
Cl
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