2-[({4-[(Methylamino)Methyl]-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-1-Yl}Acetyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H29N5O2S |
| IUPAC Name | 2-[[2-[3-tert-butyl-4-(methylaminomethyl)pyrazol-1-ium-3-ylium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide |
| Molecular Mass | 403.542 g·mol−1 |
| Heat of Formation | -179.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.43 ± 1.08 D |
| Volume | 495.5 Å 3 |
| Surface Area | 423.18 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ORJNBGRVTFLPLF-UHFFFAOYSA-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 |