N-[(3S)-2-Oxo-1-(1H-Pyrrolo[2,3-C]Pyridin-2-Ylmethyl)-3-Pyrrolidinyl]Thieno[3,2-B]Pyridine-2-Sulfonamide
Properties
Property | Value |
---|---|
Formula | C19H17N5O3S2 |
IUPAC Name | n-[(3s)-2-oxo-1-(7h-pyrrolo[2,3-c]pyridin-1-ium-7-ylium-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide |
Molecular Mass | 427.500 g·mol−1 |
Heat of Formation | -65.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.69 ± 1.08 D |
Volume | 467.45 Å 3 |
Surface Area | 370.72 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -1.36 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | PLXOQMHGHDZMSX-AWEZNQCLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |