Formula |
C9H11FN6O3 |
IUPAC Name |
(2r)-3-fluoro-2-[4-[(2-nitroimidazol-1-ium-2-ylium-1-yl)methyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]propan-1-ol |
Molecular Mass |
270.220 g·mol−1 |
Heat of Formation |
33.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.87 ± 1.08 D |
Volume |
293.35 Å 3 |
Surface Area |
263.29 Å 2 |
HOMO Energy |
-10.13 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZSSPATINHRVRTN-QMMMGPOBSA-N |
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Links |
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Elements |
H
C
N
O
F
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