(2S)-N-[(3S,4R,4Ar,6S)-3-(Dichloromethyl)-6,8-Dihydroxy-3-Methyl-1-Oxo-4A,5,6,7-Tetrahydro-4H-Isochromen-4-Yl]-2-Amino-Propanamide

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Properties Simple | Detailed

Formula C14H20Cl2N2O5
IUPAC Name (2s)-n-[(3s,4r,4ar,6s)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-amino-propanamide
Molecular Mass 367.225 g·mol−1
Heat of Formation -1060.4 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 396.84 Å 3
Surface Area 324.08 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey JSRXKUDJDNEKAW-NTQPJNNGSA-N
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Elements H C N O Cl