(1S,3R,11R,14S)-14-(Hydroxymethyl)-3-(1H-Indol-3-Yl)-18-Methyl-15,16-Dithia-10,12,18-Triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]Octadeca-4,6,8-Triene-13,17-Dione
Properties
Property | Value |
---|---|
Formula | C23H20N4O3S2 |
IUPAC Name | (1s,3r,11r,14s)-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0 1,12 .0 3,11 .0 4,9 ]octadeca-4,6,8-triene-13,17-dione |
Molecular Mass | 464.560 g·mol−1 |
Heat of Formation | 13.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.08 ± 1.08 D |
Volume | 495.99 Å 3 |
Surface Area | 384.99 Å 2 |
HOMO Energy | -8.53 ± 0.55 eV |
LUMO Energy | 1.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | XHPIWHHLWCZQEF-PVSGBFIBSA-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 |