| Formula |
C21H26N4O8 |
| IUPAC Name |
(2s)-2-(6-anilinohexanoylamino)-3-[(4s)-4-hydroxy-2,4-dinitro-cyclohexa-1,5-dien-1-yl]propanoic acid |
| Molecular Mass |
462.453 g·mol−1 |
| Heat of Formation |
-298.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.78 ± 1.08 D |
| Volume |
526.41 Å 3 |
| Surface Area |
386.13 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
-1.78 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
KHQHMLAMHLJSAM-LAUBAEHRSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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