Formula |
C26H27ClN4O4S |
IUPAC Name |
4-[3-(4-chloroanilino)-3-oxo-propyl]-3-[(5-isopropyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl)amino]benzoic acid |
Molecular Mass |
527.035 g·mol−1 |
Heat of Formation |
-469.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.90 ± 1.08 D |
Volume |
602.94 Å 3 |
Surface Area |
520.44 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
-1.40 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FQNIFNHOEQFSHE-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
C
Cl
H
O
N
S
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