Formula |
C18H15ClN2O3S3 |
IUPAC Name |
(2r)-2-[[(2r)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetyl]amino]-3-sulfanyl-propanoic acid |
Molecular Mass |
438.971 g·mol−1 |
Heat of Formation |
-286.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.43 ± 1.08 D |
Volume |
460.7 Å 3 |
Surface Area |
379.74 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
-1.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VOWIUTIDACTQDT-DZGCQCFKSA-N |
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Elements |
C
Cl
H
O
N
S
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