Formula |
C24H29ClN4O2S |
IUPAC Name |
(11s)-8-chloro-11-(1-methylsulfonyl-4-piperidyl)-6-piperazin-1-yl-11h-benzo[1,2]cyclohepta[2,4-b]pyridine |
Molecular Mass |
473.031 g·mol−1 |
Heat of Formation |
-108.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.54 ± 1.08 D |
Volume |
544.5 Å 3 |
Surface Area |
423.89 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
2.24 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (
- )
- ,
- -
- 1
- 2
- 4
- 5
- 6
- 8
- [
- ]
- a
- b
- c
- d
- e
- f
- h
- i
- l
- m
- n
- o
- p
- r
- s
- t
- u
- y
- z
|
InChIKey |
ZMGCFGGMTCMSDP-QHCPKHFHSA-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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