(3S)-1-[2-(Pyrido[2,3-B]Pyrazin-7-Ylsulfanyl)-9H-Pyrimido[4,5-B]Indol-4-Yl]-3-Pyrrolidinamine
Properties
Property | Value |
---|---|
Formula | C21H18N8S |
IUPAC Name | (1r,3s)-1-(2-pyrido[2,3-b]pyrazin-7-ylsulfanylpyrimido[4,5-b]indol-9-ium-4-yl)pyrrolidin-3-amine |
Molecular Mass | 414.486 g·mol−1 |
Heat of Formation | 662.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.53 ± 1.08 D |
Volume | 461.13 Å 3 |
Surface Area | 402.87 Å 2 |
HOMO Energy | -8.50 ± 0.55 eV |
LUMO Energy | -1.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | YQQNXOBXIZYKPR-LBPRGKRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S N |