Formula |
C20H22ClN3O2S |
IUPAC Name |
{8-chloro-2-[2-(diethylamino)ethyl]-1-oxido-2h-thiochromeno[4,3,2-cd]indazol-5-yl}methanol |
Molecular Mass |
403.926 g·mol−1 |
Heat of Formation |
76.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.59 ± 1.08 D |
Volume |
460.25 Å 3 |
Surface Area |
391.85 Å 2 |
HOMO Energy |
-8.12 ± 0.55 eV |
LUMO Energy |
2.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2h-(1)benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, n-oxide
- 8-chloro-5-hydroxymethylbenzothiopyranoindazole n-oxide
- ia 4 n-oxide
- ia-4 n-oxide
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CAS Number(s) |
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InChIKey |
UZIZCDFYYXJCMO-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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