Formula |
C22H23Cl2N3OS |
IUPAC Name |
2-(3,4-dichlorophenyl)-n-[(1r)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-n-methyl-acetamide |
Molecular Mass |
448.409 g·mol−1 |
Heat of Formation |
78.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.48 ± 1.08 D |
Volume |
502.14 Å 3 |
Surface Area |
426.13 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BNAKCEFXXMHXDQ-NRFANRHFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
Cl
H
O
N
S
|
|
|