Formula |
C33H42N4O5S |
IUPAC Name |
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-n-(4,5-dimethylisoxazol-3-yl)benzenesulfonamide |
Molecular Mass |
606.775 g·mol−1 |
Heat of Formation |
-584.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.95 ± 1.08 D |
Volume |
732.16 Å 3 |
Surface Area |
499.42 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-0.80 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CWMQUSPFWVHUGW-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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