Formula |
C26H29N5O9 |
IUPAC Name |
n-[2-[bis[2-[(2,3-dihydroxybenzoyl)amino]ethyl]amino]ethyl]-1-hydroxy-2-oxo-3h-pyridin-1-ium-3-ide-6-carboxamide |
Molecular Mass |
555.537 g·mol−1 |
Heat of Formation |
-1183.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.72 ± 1.08 D |
Volume |
630.49 Å 3 |
Surface Area |
555.6 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SHTLBAYLLAIJDF-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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