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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Elements |
H
C
Cl
O
N
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