Formula |
C22H26ClN5O3 |
IUPAC Name |
n-[(1s)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[2-[[(1s)-1-(hydroxymethyl)propyl]amino]-5-methyl-pyrimidin-4-yl]-1h-pyrrole-2-carboxamide |
Molecular Mass |
443.927 g·mol−1 |
Heat of Formation |
-301.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.11 ± 1.08 D |
Volume |
517.98 Å 3 |
Surface Area |
462.89 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
2.68 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GFHDSVUCETUKHU-PKOBYXMFSA-N |
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Links |
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Elements |
H
C
Cl
O
N
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