Formula |
C18H20FNO3S |
IUPAC Name |
(2z)-2-[(1s,4r)-1-[(1r)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]acetic acid |
Molecular Mass |
349.420 g·mol−1 |
Heat of Formation |
-468.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.91 ± 1.08 D |
Volume |
413.08 Å 3 |
Surface Area |
341.13 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-0.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZWUQVNSJSJHFPS-IKTMDDPPSA-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
|
|
|