N-[(1S)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-4-(2-{[(2S)-1-Hydroxy-2-Butanyl]Amino}-5-Methyl-4-Pyrimidinyl)-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C22H26ClN5O3
IUPAC Name n-[(1s)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[2-[[(1s)-1-(hydroxymethyl)propyl]amino]-5-methyl-pyrimidin-4-yl]-3h-pyrrol-1-ium-3-ide-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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