Formula |
C19H22N2OS |
IUPAC Name |
(2r)-5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one |
Molecular Mass |
326.456 g·mol−1 |
Heat of Formation |
16.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.95 ± 1.08 D |
Volume |
404.55 Å 3 |
Surface Area |
331.6 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
-0.69 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (
- )
- ,
- -
- 1
- 2
- 3
- 4
- 5
- a
- b
- d
- e
- h
- i
- l
- m
- n
- o
- p
- r
- t
- y
- z
|
InChIKey |
QJJXOEFWXSQISU-GOSISDBHSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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|
Elements |
H
S
C
O
N
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