Formula |
C13H16N4S |
IUPAC Name |
5-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole |
Molecular Mass |
260.358 g·mol−1 |
Heat of Formation |
303.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.20 ± 1.08 D |
Volume |
308.37 Å 3 |
Surface Area |
279.45 Å 2 |
HOMO Energy |
-8.64 ± 0.55 eV |
LUMO Energy |
-0.68 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- aw 00426
- oprea1_036742
- sdccgmls-0065830.p001
|
InChIKey |
IENGAZSTLAONAR-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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|
Elements |
H
C
S
N
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