Formula |
C18H15ClN4O3S |
IUPAC Name |
(2s)-n-[(3s)-1-(2-amino-2-oxo-ethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide |
Molecular Mass |
402.855 g·mol−1 |
Heat of Formation |
-113.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.70 ± 1.08 D |
Volume |
429.47 Å 3 |
Surface Area |
381.56 Å 2 |
HOMO Energy |
-8.83 ± 0.55 eV |
LUMO Energy |
-2.38 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ACSGSLPOHKRZCY-GXTWGEPZSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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