Formula |
C23H28N8O3 |
IUPAC Name |
5-tert-butyl-n-[(1s)-2-(2-iminoethylamino)-1-[[3-(5-methanimidoyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-ethyl]-2-methyl-4h-pyrazol-2-ium-4-ide-3-carboxamide |
Molecular Mass |
464.520 g·mol−1 |
Heat of Formation |
44.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.92 ± 1.08 D |
Volume |
567.66 Å 3 |
Surface Area |
467.95 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
1.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TVWDSIGUOHNHHP-TTWIPJPDSA-N |
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Elements |
H
C
O
N
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