Formula |
C27H36N4O4S |
IUPAC Name |
1-[3-[4-[(5s,9s)-3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl]piperidine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea |
Molecular Mass |
512.664 g·mol−1 |
Heat of Formation |
-682.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.24 ± 1.08 D |
Volume |
619.61 Å 3 |
Surface Area |
472.19 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DSUNZEZCXUMUEH-MHZLTWQESA-N |
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Elements |
H
C
S
O
N
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