2-Methyl-2-Propanyl [(2R,6S,12Z,13As,14Ar,16As)-2-[(7-Chloro-4-Methoxy-1-Isoquinolinyl)Oxy]-14A-{[Cyclopropyl(Dihydroxy)-Lambda~4~-Sulfanyl]Carbamoyl}-5,16-Dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-Hexadecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecin-6-Yl]Carbamate
Properties
| Property | Value |
|---|---|
| Formula | C36H48ClN5O9S |
| IUPAC Name | tert-butyl n-[(1s,4r,6s,7z,14s,18r)-18-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-4-[[cyclopropyl(dihydroxy)-λ4-sulfanyl]carbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate |
| Molecular Mass | 762.312 g·mol−1 |
| Heat of Formation | -1399.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.98 ± 1.08 D |
| Volume | 896.73 Å 3 |
| Surface Area | 657.4 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DSNGGHKVTHMTNA-HGSGLVRESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |