Formula |
C33H37F3N4O4 |
IUPAC Name |
n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1-cyclopentyl-6-oxo-5-(2-oxopyrrolidin-1-yl)pyridin-1-ium-5-ylium-3-carboxamide |
Molecular Mass |
610.666 g·mol−1 |
Heat of Formation |
-1201.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.47 ± 1.08 D |
Volume |
717.58 Å 3 |
Surface Area |
566.06 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.54 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QKLJNYJRYSKKKP-LMSSTIIKSA-N |
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Links |
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Elements |
H
C
F
O
N
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