Formula |
C21H21ClF2N4O4 |
IUPAC Name |
(2r)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxy-acetyl]azetidine-2-carboxamide |
Molecular Mass |
466.866 g·mol−1 |
Heat of Formation |
-881.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.47 ± 1.08 D |
Volume |
519.25 Å 3 |
Surface Area |
369.83 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
2.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QTUUCFVBSVJGOH-IAGOWNOFSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
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