Formula |
C24H26N4O6S |
IUPAC Name |
2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethyl]phenyl]methyl]propanedioic acid |
Molecular Mass |
498.551 g·mol−1 |
Heat of Formation |
-929.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.07 ± 1.08 D |
Volume |
574.35 Å 3 |
Surface Area |
513.18 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GADNEHRFYQNKCC-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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