Formula |
C23H31BrN4O10 |
IUPAC Name |
(2s)-2-[[(1s)-5-[[2-(2-acetamidoethoxy)-4-bromo-benzoyl]amino]-1-carboxy-pentyl]carbamoylamino]pentanedioic acid |
Molecular Mass |
603.417 g·mol−1 |
Heat of Formation |
-1874.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.28 ± 1.08 D |
Volume |
653.71 Å 3 |
Surface Area |
581.73 Å 2 |
HOMO Energy |
-9.57 ± 0.55 eV |
LUMO Energy |
-0.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GEZLVAJRFLXCLD-IRXDYDNUSA-N |
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Elements |
H
C
Br
O
N
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