2-{[3-(3,5-Dimethyl-1-Piperidinyl)-6-Oxo-6H-Anthra[1,9-Cd][1,2]Oxazol-5-Yl]Amino}Benzoate
Properties
Property | Value |
---|---|
Formula | C28H25N3O4 |
IUPAC Name | 2-[[12-[(3s,5s)-3,5-dimethyl-1-piperidyl]-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid |
Molecular Mass | 467.516 g·mol−1 |
Heat of Formation | -187.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.22 ± 1.08 D |
Volume | 534.78 Å 3 |
Surface Area | 433.29 Å 2 |
HOMO Energy | -7.97 ± 0.55 eV |
LUMO Energy | 1.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | HQQHYDSAYJUPSU-HOTGVXAUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |