Formula |
C34H38FN5O7S |
IUPAC Name |
ethyl 1-[(2s,3s)-3-[[3-[[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl]-5-[methyl(methylsulfonyl)amino]benzoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrazole-4-carboxylate |
Molecular Mass |
679.758 g·mol−1 |
Heat of Formation |
-1061.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.24 ± 1.08 D |
Volume |
811.87 Å 3 |
Surface Area |
631.86 Å 2 |
HOMO Energy |
-9.52 ± 0.55 eV |
LUMO Energy |
2.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MTFQLBNDNYIGHD-OJXBSAKDSA-N |
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Elements |
C
F
H
O
N
S
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