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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N