N-(Dichloroacetyl)-5-Nitro-L-Tryptophan

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Properties Simple | Detailed

Formula C13H11Cl2N3O5
IUPAC Name (2s)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitroindol-1-ium-3-yl)propanoic acid
Molecular Mass 360.150 g·mol−1
Heat of Formation -462.3 ± 16.7 kJ·mol−1
Dipole Moment 7.99 ± 1.08 D
Volume 372.32 Å 3
Surface Area 312.66 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey XQWHVNIKKBWIGG-SNVBAGLBSA-N
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Elements H C Cl O N