Formula |
C12H17BrClF2N3O6S |
IUPAC Name |
(4s)-4-amino-5-[[(1r)-1-[[(2r)-2-bromo-2-chloro-1,1-difluoro-ethyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
484.699 g·mol−1 |
Heat of Formation |
-1549.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.20 ± 1.08 D |
Volume |
459.43 Å 3 |
Surface Area |
380.12 Å 2 |
HOMO Energy |
-9.65 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OTVNACHPZVGLNB-BVMVBECYSA-N |
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Elements |
C
F
H
Cl
O
N
S
Br
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