Formula |
C18H20N6O5S2 |
IUPAC Name |
(2r)-2-[(1r)-1-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-2-oxo-ethyl]-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid |
Molecular Mass |
464.519 g·mol−1 |
Heat of Formation |
-342.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.57 ± 1.08 D |
Volume |
515.25 Å 3 |
Surface Area |
427.05 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CTWPBVTUYYLUGC-XNRPHZJLSA-N |
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Elements |
H
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