(12S,27S)-12,27-Bis(4-Aminobutyl)-4,30-Dimethyl-3,7,14,18,22,29-Hexaoxa-11,26,31,32,33,34,35,36-Octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]Hexatriaconta-1(30),2(36),4,6(35),8,13 (34),15,17(33),19,21(32),23,28(31)-Dodecaene-10,25-Dione
Properties
| Property | Value |
|---|---|
| Formula | C32H34N10O8 |
| IUPAC Name | (12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1 2,5 .1 6,9 .1 13,16 .1 17,20 .1 21,24 ]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione |
| Molecular Mass | 686.675 g·mol−1 |
| Heat of Formation | -393.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.89 ± 1.08 D |
| Volume | 770.24 Å 3 |
| Surface Area | 676.02 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | -1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VFOYOVBIUSPROZ-ROUUACIJSA-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 |