Formula |
C27H39FN4O4S |
IUPAC Name |
ethyl 2-[1-[(3r)-3-[[2-fluoro-4-(thiazolidine-3-carboximidoyl)benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetate |
Molecular Mass |
534.686 g·mol−1 |
Heat of Formation |
-877.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.83 ± 1.08 D |
Volume |
652.22 Å 3 |
Surface Area |
533.91 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
2.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XEMTYGFOVBXDLG-GIAQSNRWSA-N |
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Elements |
C
F
H
O
N
S
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