Formula |
C25H24N4O6 |
IUPAC Name |
(2r)-2-[[4-[(2-methyl-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
476.481 g·mol−1 |
Heat of Formation |
-630.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.43 ± 1.08 D |
Volume |
527.05 Å 3 |
Surface Area |
435.26 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-1.08 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PMTUUSDTAKQWQJ-OAQYLSRUSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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