Formula |
C31H36F4N4O4S |
IUPAC Name |
n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-[(2r)-1,1-dioxothiazinan-2-yl]-5-(ethylamino)-2-fluoro-benzamide |
Molecular Mass |
636.701 g·mol−1 |
Heat of Formation |
-1337.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.42 ± 1.08 D |
Volume |
722.8 Å 3 |
Surface Area |
583.19 Å 2 |
HOMO Energy |
-8.25 ± 0.55 eV |
LUMO Energy |
-0.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DGEILIRHSDUTDK-XTEPFMGCSA-N |
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Elements |
C
F
H
O
N
S
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