Formula |
C27H31N5O2S |
IUPAC Name |
1-[4-(2-benzyloxyethyl)thiazol-2-yl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-5-ylium-3-yl]urea |
Molecular Mass |
489.632 g·mol−1 |
Heat of Formation |
100.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.18 ± 1.08 D |
Volume |
597.65 Å 3 |
Surface Area |
533.01 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
2.38 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MZGQVTBIULKWER-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
|
|
|