Formula |
C31H40N4O6S |
IUPAC Name |
n-[(1r)-2-[butylsulfonyl-[(1s)-1-carbamoyl-2-methyl-propyl]amino]-1-[(4-isoxazol-5-ylphenyl)methyl]-2-oxo-ethyl]-n,3,5-trimethyl-benzamide |
Molecular Mass |
596.737 g·mol−1 |
Heat of Formation |
-831.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.45 ± 1.08 D |
Volume |
728.76 Å 3 |
Surface Area |
527.73 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
2.13 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DWRROFDJWVYOHG-IAPPQJPRSA-N |
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Links |
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Elements |
H
S
C
O
N
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