N-{[12-Cyano-7,18-Dimethoxy-6,17,21-Trimethyl-5,8,16,19-Tetraoxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15(20),17-Tetraen-10-Yl]Methyl}Alaninamide
Properties
Property | Value |
---|---|
Formula | C29H33N5O7 |
IUPAC Name | n-{[(1r,13s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-l-alaninamide |
Molecular Mass | 563.602 g·mol−1 |
Heat of Formation | -668.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.92 ± 1.08 D |
Volume | 645.77 Å 3 |
Surface Area | 506.88 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | 1.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | KLKJKXQSKPPFSJ-HKUYVIHWSA-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 |