Formula |
C26H31N5O7 |
IUPAC Name |
ethyl (4r)-4-[[(2s)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-pyridin-1-ium-3-ylium-1-yl]pent-4-ynoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate |
Molecular Mass |
525.554 g·mol−1 |
Heat of Formation |
-772.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.21 ± 1.08 D |
Volume |
617.57 Å 3 |
Surface Area |
536.91 Å 2 |
HOMO Energy |
-8.54 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WVFVHUYBPRBKRA-UEXGIBASSA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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