Methyl (15S,16S,18S)-10,23-Bis[(Ethylsulfanyl)Methyl]-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboperoxoate
Properties
Property | Value |
---|---|
Formula | C33H33N3O5S2 |
IUPAC Name | methyl (15s,16s,18s)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboperoxoate |
Molecular Mass | 615.762 g·mol−1 |
Heat of Formation | -272.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.01 ± 1.08 D |
Volume | 697.09 Å 3 |
Surface Area | 571.92 Å 2 |
HOMO Energy | -7.98 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | WMBUVOLZSWTKMP-TUQFTLKDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |