(2E,4E)-1-{(2S,6R,14R,22R,25S)-25-[(2R)-3,3-Dimethyl-2-Oxiranyl]-1,3,13,15-Tetraazaheptacyclo[18.4.1.0~2,6~.0~6,22~.0~7,12~.0~14,22~.0~16,21~]Pentacosa-7,9,11,16,18,20-Hexaen-3-Yl}-2,4-Hexadien-1-One
Properties
Property | Value |
---|---|
Formula | C31H34N4O2 |
IUPAC Name | (2e,4e)-1-{(2s,6r,14r,22r,25s)-25-[(2r)-3,3-dimethyl-2-oxiranyl]-1,3,13,15-tetraazaheptacyclo[18.4.1.0 2,6 .0 6,22 .0 7,12 .0 14,22 .0 16,21 ]pentacosa-7,9,11,16,18,20-hexaen-3-yl}-2,4-hexadien-1-one |
Molecular Mass | 494.627 g·mol−1 |
Heat of Formation | 108.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.88 ± 1.08 D |
Volume | 597.01 Å 3 |
Surface Area | 459.71 Å 2 |
HOMO Energy | -8.28 ± 0.55 eV |
LUMO Energy | 2.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | NGWRTMWKLOPVRM-SNBYXLDTSA-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 |