| Formula |
C28H31N5O4S |
| IUPAC Name |
2-[4-[5-[[4-(2-benzyloxyethyl)thiazol-2-yl]carbamoylamino]-3-tert-butyl-pyrazol-1-ium-3-ylium-1-yl]phenyl]acetic acid |
| Molecular Mass |
533.642 g·mol−1 |
| Heat of Formation |
-261.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.39 ± 1.08 D |
| Volume |
634.8 Å 3 |
| Surface Area |
565.07 Å 2 |
| HOMO Energy |
-8.86 ± 0.55 eV |
| LUMO Energy |
2.20 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QUOWKTGPIJLRIN-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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