N-[2-({3-[4-Hydroxy-3-(~125~I)Iodophenyl]Propanoyl}Amino)Ethyl]-5-[(3As,4S,6Ar)-5-Oxido-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide
Properties
| Property | Value |
|---|---|
| Formula | C21H29IN4O5S |
| IUPAC Name | 5-[(3as,4s,6ar)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[2-[3-(4-hydroxy-3-(125i)iodanyl-phenyl)propanoylamino]ethyl]pentanamide |
| Molecular Mass | 574.448 g·mol−1 |
| Heat of Formation | -818.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.02 ± 1.08 D |
| Volume | 580.47 Å 3 |
| Surface Area | 415.07 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MCAUSUVACKMLDN-NBTMGZFWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C I H O N S |