Formula |
C19H18N4O3S2 |
IUPAC Name |
benzyl n-[(1r)-3-oxo-1-phenyl-3-[(2-thioxo-3h-1,3,4-thiadiazol-5-yl)amino]propyl]carbamate |
Molecular Mass |
414.501 g·mol−1 |
Heat of Formation |
-100.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.89 ± 1.08 D |
Volume |
475.98 Å 3 |
Surface Area |
381.2 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
-1.34 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- [2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
- in8
- pnu-141803
|
InChIKey |
AWAKNMKLVLWIIQ-OAHLLOKOSA-N |
QR Code |
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Links |
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Downloads |
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|
Elements |
H
S
C
O
N
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