(3S)-N-(2-Aminoethyl)-3-{[(1R)-1-(4-Chloro-2-Fluoro-3-Phenoxyphenyl)Propyl]Amino}Butanamide

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Properties Simple | Detailed

Formula C21H30ClFN3O2+
IUPAC Name 2-[[(3s)-3-aminobutanoyl]amino]ethylammonium; 1-chloro-3-fluoro-2-phenoxy-4-propyl-benzene
Molecular Mass 410.933 g·mol−1
Heat of Formation -430.9 ± 16.7 kJ·mol−1
Dipole Moment 10.79 ± 1.08 D
Volume 494.28 Å 3
Surface Area 361.1 Å 2
HOMO Energy -6.34 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
InChIKey MPOXTYMLTZWDMB-KBXCAEBGSA-P
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Elements C F H Cl O N