Diethyl ({4-[2-(11-Ethyl-5-Methyl-6-Oxo-6,11-Dihydro-5H-Dipyrido[3,2-B:2',3'-E][1,4]Diazepin-8-Yl)Ethyl]Phenoxy}Methyl)Phosphonate
Properties
Property | Value |
---|---|
Formula | C27H33N4O5P |
IUPAC Name | 8-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]-11-ethyl-5-methyl-dipyrido[2,3-d:2',3'-h][1,4]diazepine-5,11-diium-6-one |
Molecular Mass | 524.548 g·mol−1 |
Heat of Formation | -777.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.87 ± 1.08 D |
Volume | 615.32 Å 3 |
Surface Area | 518.38 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | YVBXNGRTCURFDW-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |