N-Cyclohexyl-N~3~-[2-(3,4-Dichlorophenyl)Ethyl]-N-(2-{[2-(5-Hydroxy-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-8-Yl)Ethyl]Amino}Ethyl)-β-Alaninamide

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Properties Simple | Detailed

Formula C29H38Cl2N4O4
IUPAC Name n-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-n-[2-[2-(5-hydroxy-3-oxo-4h-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide
Molecular Mass 577.542 g·mol−1
Heat of Formation -679.2 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 679.47 Å 3
Surface Area 594.4 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey LIBVHXXKHSODII-UHFFFAOYSA-N
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