Formula |
C22H18BrN3O2 |
IUPAC Name |
(4s,5r)-n-(4-bromophenyl)-3-oxo-4,5-diphenyl-pyrazolidine-1-carboxamide |
Molecular Mass |
436.301 g·mol−1 |
Heat of Formation |
101.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.62 ± 1.08 D |
Volume |
456.51 Å 3 |
Surface Area |
388.51 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-0.57 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- btb 15231
- ly262691
- sr-01000630775-1
|
InChIKey |
LMUQHXHWJWQXSD-PMACEKPBSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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|
Elements |
H
C
O
Br
N
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