5-({(1S,2R)-2-[(4-Aminobutanoyl)Amino]-2,3-Dihydro-1H-Inden-1-Yl}Methyl)-1,3-Benzodioxole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C22H24N2O5 |
IUPAC Name | 5-[[(1s,2r)-2-(4-aminobutanoylamino)indan-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
Molecular Mass | 396.436 g·mol−1 |
Heat of Formation | -697.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.64 ± 1.08 D |
Volume | 458.8 Å 3 |
Surface Area | 386.28 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | 2.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | JAXONHRCCIOGKL-DLBZAZTESA-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 |