5-[(2S)-2-{[(4-Aminobenzoyl)Amino]Methyl}-4-Methylpentyl]-1,3-Benzodioxole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C22H26N2O5 |
IUPAC Name | 5-[(2s)-2-[[(4-aminobenzoyl)amino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid |
Molecular Mass | 398.452 g·mol−1 |
Heat of Formation | -758.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.90 ± 1.08 D |
Volume | 484.0 Å 3 |
Surface Area | 395.32 Å 2 |
HOMO Energy | -8.66 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | RIYOWUZQAXSMBW-AWEZNQCLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |