Formula |
C18H17ClN4O3S2 |
IUPAC Name |
(4s)-4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(7h-pyrrolo[3,2-c]pyridine-1,5-diium-3a,7-diid-2-ylmethyl)piperazin-2-one |
Molecular Mass |
436.936 g·mol−1 |
Heat of Formation |
-113.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.54 ± 1.08 D |
Volume |
469.89 Å 3 |
Surface Area |
410.44 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
-1.97 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)-2-piperazinone
- 4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
- 4-[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
- 4-[2-(5-chloro-2-thienyl)vinylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)-2-piperazinone
- 4-[2-(5-chloro-2-thienyl)vinylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
- 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
- 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
- rrr
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InChIKey |
PLWVUIRWJVKSSD-XBXARRHUSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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