Formula |
C31H27N5O7 |
IUPAC Name |
methyl 2-[(2s)-2-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate |
Molecular Mass |
581.575 g·mol−1 |
Heat of Formation |
-581.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.54 ± 1.08 D |
Volume |
665.68 Å 3 |
Surface Area |
532.54 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
1.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JBVRJKUPBUZDDJ-DEOSSOPVSA-N |
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Elements |
H
C
O
N
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