N-{[(4S,5S)-5-(Aminomethyl)-2,2-Dimethyl-1,3-Dioxolan-4-Yl]Methyl}-N'-(4-Chloro-3-Fluorophenyl)Ethanediamide
Properties
Property | Value |
---|---|
Formula | C15H19ClFN3O4 |
IUPAC Name | n-[[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-n'-(4-chloro-3-fluoro-phenyl)oxamide |
Molecular Mass | 359.780 g·mol−1 |
Heat of Formation | -880.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.28 ± 1.08 D |
Volume | 398.45 Å 3 |
Surface Area | 364.17 Å 2 |
HOMO Energy | -9.31 ± 0.55 eV |
LUMO Energy | 2.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | KUDYRECLZBUMDK-RYUDHWBXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |