Formula |
C23H24ClNO6S |
IUPAC Name |
chloromethyl (7s)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalene-2-carboxylate |
Molecular Mass |
477.958 g·mol−1 |
Heat of Formation |
-821.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.64 ± 1.08 D |
Volume |
546.18 Å 3 |
Surface Area |
415.74 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
1.96 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZSPDEGWRRUIQQA-INIZCTEOSA-N |
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Elements |
C
Cl
H
O
N
S
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