(3S)-7-Chloro-1-Methyl-3-(2-Naphthylmethyl)-5-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)-1,3,4,5-Tetrahydro-2H-1,4-Benzodiazepin-2-One
Properties
| Property | Value |
|---|---|
| Formula | C27H21ClN2O2 |
| IUPAC Name | (3s)-7-chloro-1-methyl-3-(2-naphthylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one |
| Molecular Mass | 440.921 g·mol−1 |
| Heat of Formation | 101.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.96 ± 1.08 D |
| Volume | 511.1 Å 3 |
| Surface Area | 426.96 Å 2 |
| HOMO Energy | -8.25 ± 0.55 eV |
| LUMO Energy | -1.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IJEUIRDNQUQMFU-DEOSSOPVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |