(2S)-1-{(2R)-2-[3-Chloro-5-(Difluoromethoxy)Phenyl]-2-Hydroxyacetyl}-N-[4-(N'-Methoxycarbamimidoyl)Benzyl]-2-Azetidinecarboxamide

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Properties Simple | Detailed

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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Elements C F H Cl O N