Formula |
C36H44N4O5SSi |
IUPAC Name |
4-[5-butyl-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]-3-(3,4-dihydro-1h-isoquinoline-2-carbonyl)-n-(2-trimethylsilylethylsulfonyl)benzamide |
Molecular Mass |
672.909 g·mol−1 |
Heat of Formation |
-719.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.42 ± 1.08 D |
Volume |
823.7 Å 3 |
Surface Area |
611.87 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
-0.57 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KDMMHDWLRNJPDK-UHFFFAOYSA-N |
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Links |
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Elements |
C
H
S
O
N
Si
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