Formula |
C37H37N3O6S2 |
IUPAC Name |
(2r)-2-benzyl-n-[6-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexyl]-3-sulfanyl-propanamide |
Molecular Mass |
683.836 g·mol−1 |
Heat of Formation |
-635.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.10 ± 1.08 D |
Volume |
799.3 Å 3 |
Surface Area |
674.25 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BWMAQIUFALCFIM-XMMPIXPASA-N |
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Elements |
H
S
C
O
N
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