| Formula |
C29H36ClN4O2S+ |
| IUPAC Name |
3-(3-chlorophenyl)-2-[(1s)-1-[(6s)-2,8-diazaspiro[5.5]undecane-2-carbonyl]pentyl]sulfanyl-3h-quinazolin-3-ium-4-one |
| Molecular Mass |
540.140 g·mol−1 |
| Heat of Formation |
-248.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.09 ± 1.08 D |
| Volume |
638.32 Å 3 |
| Surface Area |
474.11 Å 2 |
| HOMO Energy |
-8.85 ± 0.55 eV |
| LUMO Energy |
-1.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GMBUMIBZLYNLLU-SVEHJYQDSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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