Formula |
C29H36N4O2S |
IUPAC Name |
(2s)-n-[(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide |
Molecular Mass |
504.687 g·mol−1 |
Heat of Formation |
-198.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.27 ± 1.08 D |
Volume |
629.05 Å 3 |
Surface Area |
507.81 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZMBDQSBUBMMIRB-QXWFJRNPSA-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
|
|
|