Formula |
C29H37ClN4O3 |
IUPAC Name |
4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-pyrrole-2-carboxamide |
Molecular Mass |
525.082 g·mol−1 |
Heat of Formation |
-341.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.44 ± 1.08 D |
Volume |
648.42 Å 3 |
Surface Area |
547.21 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
2.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DXJMWRCEEVNUJU-VWLOTQADSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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