N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-Oxo-1,2-Thiazolidin-5-Yl]Phenyl}-1-[5-(Trifluoromethyl)-1H-Benzimidazol-2-Yl]Ethyl}-2,2,2-Trifluoroacetamide
Properties
Property | Value |
---|---|
Formula | C21H16F6N4O4S |
IUPAC Name | 2,2,2-trifluoro-n-[(1s)-1-[5-(trifluoromethyl)-4h-benzimidazol-1-ium-4-id-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]acetamide |
Molecular Mass | 534.432 g·mol−1 |
Heat of Formation | -1711.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.67 ± 1.08 D |
Volume | 531.48 Å 3 |
Surface Area | 452.32 Å 2 |
HOMO Energy | -9.89 ± 0.55 eV |
LUMO Energy | -1.14 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ZQCICORKZRLKMU-HOTGVXAUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |