(4R)-6-Oxo-7-[(3-Phenyl-2-Sulfanylpropanoyl)Amino]-1,2,3,4,6,7,8,12B-Octahydropyrido[2,1-A][2]Benzazepine-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H26N2O4S |
| IUPAC Name | (4r,7s,12br)-6-oxo-7-[[(2r)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,12b-hexahydro-1h-pyrido[2,1-a][2]benzazepine-4-carboxylic acid |
| Molecular Mass | 438.539 g·mol−1 |
| Heat of Formation | -578.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.08 ± 1.08 D |
| Volume | 509.49 Å 3 |
| Surface Area | 396.72 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -0.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RIWRWPXUDHZKIO-DOIPELPJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |