Formula |
C22H23ClF2N4O5 |
IUPAC Name |
(2s)-1-[(2s)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxy-acetyl]-n-[[4-[(z)-n'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide |
Molecular Mass |
496.892 g·mol−1 |
Heat of Formation |
-924.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.12 ± 1.08 D |
Volume |
565.8 Å 3 |
Surface Area |
415.07 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XSNMGLZVFNDDPW-ROUUACIJSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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