Formula |
C28H34N6O7 |
IUPAC Name |
tert-butyl n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-dioxophthalazine-2,3-diium-6-yl)amino]-3-phenyl-propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate |
Molecular Mass |
566.606 g·mol−1 |
Heat of Formation |
-1088.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.85 ± 1.08 D |
Volume |
677.64 Å 3 |
Surface Area |
538.7 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
1.98 ± eV |
Point Group Symmetry |
C1
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InChIKey |
KSRLQUWZZNHGIJ-QYWGDWMGSA-N |
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Elements |
H
C
O
N
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