(1S,1'S,2S,2'S,3R,3'S,11R,11'R,14S,14'S)-2,2'-Dihydroxy-14,14'-Bis(Hydroxymethyl)-19,19'-Dimethyl-3,3'-Bi(15,16,17-Trithia-10,12,19-Triazapentacyclo[12.3.2.0~1,12~.0~3,11~.0~4,9~]Nonadecane)-4,4',6,6',8,8'-Hexaene-13,13',18,18'-Tetrone
Properties
Property | Value |
---|---|
Formula | C30H28N6O8S6 |
IUPAC Name | (1s,1's,2s,2's,3r,3's,11r,11'r,14s,14's)-2,2'-dihydroxy-14,14'-bis(hydroxymethyl)-19,19'-dimethyl-3,3'-bi(15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.0 1,12 .0 3,11 .0 4,9 ]nonadecane)-4,4',6,6',8,8'-hexaene-13,13',18,18'-tetrone |
Molecular Mass | 792.969 g·mol−1 |
Heat of Formation | -931.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.97 ± 1.08 D |
Volume | 777.51 Å 3 |
Surface Area | 527.76 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | -2.03 ± eV |
Point Group Symmetry | C1 |
InChIKey | CZHZTVHMGFRKRJ-LRESJZTJSA-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 |