[{2-[({[(3R)-1-{8-[(4-Tert-Butyl-1,3-Thiazol-2-Yl)Carbamoyl]-4-Oxo-3-[(E)-2-(1H-Tetrazol-5-Yl)Ethenyl]-4H-Pyrido[1,2-A]Pyrimidin-2-Yl}Piperidin-3-Yl]Oxy}Carbonyl)Amino]Ethyl}(Dimethyl)Ammonio]Acetate
Properties
Property | Value |
---|---|
Formula | C31H39N11O6S |
IUPAC Name | 2-[2-[[(1r,3r)-1-[8-[(4-tert-butylthiazol-2-yl)carbamoyl]-3-[(e)-2-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)vinyl]-4-oxo-7,9-dihydro-6h-pyrido[1,2-a]pyrimidine-6,7,8,9-tetraid-2-yl]-3-piperidyl]oxycarbonylamino]ethyl-dimethyl-ammonio]acetate |
Molecular Mass | 693.776 g·mol−1 |
Heat of Formation | -345.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.82 ± 1.08 D |
Volume | 795.05 Å 3 |
Surface Area | 671.8 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 0.98 ± eV |
Point Group Symmetry | C1 |
InChIKey | RVJNIKFVEAWLQC-HXUWFJFHSA-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 |