| Formula |
C29H25BrF2N2O4S |
| IUPAC Name |
(2r)-3-[(4-bromophenyl)methylsulfanyl]-2-[[[3-[2-(2,4-difluorophenyl)ethynyl]benzoyl]-propyl-carbamoyl]amino]propanoic acid |
| Molecular Mass |
615.486 g·mol−1 |
| Heat of Formation |
-679.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.25 ± 1.08 D |
| Volume |
657.71 Å 3 |
| Surface Area |
491.44 Å 2 |
| HOMO Energy |
-8.78 ± 0.55 eV |
| LUMO Energy |
-1.20 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
WDPWVHPOPPOGPB-SANMLTNESA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
Br
|
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