4'-[(1R)-1-{[(6,7-Dichloro-3-Oxo-2,3-Dihydro-4H-1,4-Benzoxazin-4-Yl)Acetyl](Methyl)Amino}-2-(4-Morpholinyl)Ethyl]-4-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C30H29Cl2N3O6
IUPAC Name 4-[4-[(1r)-1-[[2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methyl-amino]-2-morpholino-ethyl]phenyl]benzoic acid
Molecular Mass 598.474 g·mol−1
Heat of Formation -775.7 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 666.06 Å 3
Surface Area 526.8 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey YNBJTYUXPHTSFF-SANMLTNESA-N
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Elements H C N O Cl