N-[(2S)-3,3-Dihydroxy-1-Phenyl-4-(Tetrahydro-2H-Pyran-4-Ylamino)-2-Butanyl]-6-Ethyl-1-Methyl-1,3,4,6-Tetrahydro[1,2]Thiazepino[5,4,3-Cd]Indole-8-Carboxamide 2,2-Dioxide
Properties
Property | Value |
---|---|
Formula | C29H38N4O6S |
IUPAC Name | n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydropyran-4-ylamino)propyl]-3-ethyl-9-methyl-10,10-dioxo-10λ6-thia-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-6-carboxamide |
Molecular Mass | 570.700 g·mol−1 |
Heat of Formation | -920.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.78 ± 1.08 D |
Volume | 670.24 Å 3 |
Surface Area | 526.55 Å 2 |
HOMO Energy | -8.16 ± 0.55 eV |
LUMO Energy | -0.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | LMEDJLLRHRUTJN-SANMLTNESA-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 |