Formula |
C26H37N5O3 |
IUPAC Name |
n-[(1s)-2-[[(1r,3s)-1-benzyl-3-cyano-pyrrolidin-3-yl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide |
Molecular Mass |
467.604 g·mol−1 |
Heat of Formation |
-390.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.33 ± 1.08 D |
Volume |
587.37 Å 3 |
Surface Area |
479.74 Å 2 |
HOMO Energy |
-9.30 ± 0.55 eV |
LUMO Energy |
3.03 ± eV |
Point Group Symmetry |
C1
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InChIKey |
OHVQFYYBGNOGJV-JYFHCDHNSA-N |
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Elements |
H
C
O
N
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