Formula |
C14H17NOS |
IUPAC Name |
(1r,5s)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one |
Molecular Mass |
247.356 g·mol−1 |
Heat of Formation |
-22.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.47 ± 1.08 D |
Volume |
302.36 Å 3 |
Surface Area |
257.18 Å 2 |
HOMO Energy |
-8.16 ± 0.55 eV |
LUMO Energy |
3.18 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (1r,5s)-7-(benzyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
- (1r,5s)-7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
|
InChIKey |
ONSHXQWGCKFQFZ-BETUJISGSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|