Atecegatran

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Properties Simple | Detailed

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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Elements C F H Cl O N