7-Ethyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]-1-Methyl-3,4-Dihydro-1H-[1,2,5]Thiadiazepino[3,4,5-Hi]Indole-9-Carboxamide 2,2-Dioxide
Properties
Property | Value |
---|---|
Formula | C32H35F3N4O4S |
IUPAC Name | n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-ethyl-9-methyl-10,10-dioxo-10λ6-thia-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide |
Molecular Mass | 628.705 g·mol−1 |
Heat of Formation | -1097.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.28 ± 1.08 D |
Volume | 701.9 Å 3 |
Surface Area | 519.51 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 2.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | MSHYGGHZTGSTOG-LMSSTIIKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |