(2S)-N-[(3R,4R,4As,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-[(3r,4r,4as,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 -1045.0 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 397.51 Å 3
Surface Area 325.27 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
InChIKey JSRXKUDJDNEKAW-KXHOPGGXSA-N
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Elements H C N O Cl