3-(1H-Benzimidazol-2-Yl)-N-(1-Benzothiophen-2-Ylcarbonyl)-D-Alanine
Properties
| Property | Value |
|---|---|
| Formula | C19H15N3O3S |
| IUPAC Name | (2r)-3-(4h-benzimidazol-3-ium-4-id-2-yl)-2-(benzothiophene-2-carbonylamino)propanoic acid |
| Molecular Mass | 365.406 g·mol−1 |
| Heat of Formation | -165.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.22 ± 1.08 D |
| Volume | 408.22 Å 3 |
| Surface Area | 362.47 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -0.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OEMQUBXYMQNIGH-CQSZACIVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |