Formula |
C21H18N6O4S2 |
IUPAC Name |
2-[4-[2-[[[5-(2-pyridylsulfanyl)thiazol-1-ium-5-ylium-2-yl]carbamoylamino]methyl]imidazol-4-yl]phenoxy]acetic acid |
Molecular Mass |
482.535 g·mol−1 |
Heat of Formation |
-133.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.77 ± 1.08 D |
Volume |
516.79 Å 3 |
Surface Area |
475.82 Å 2 |
HOMO Energy |
-8.12 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SSXCWVOQWRUMGN-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
S
O
N
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