1-{[(2R)-2-Acetamido-2-Carboxyethyl]Sulfanyl}-2-Amino-3-Oxo-3H-Phenoxazine-8-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H23N3O7S
IUPAC Name 9-[(2r)-2-acetamido-2-carboxy-ethyl]sulfanyl-8-amino-7-oxo-3,4-dihydro-1h-phenoxazine-1,2,3,4,4a,9a,10,10a-octaide-2-carboxylic acid
Molecular Mass 425.456 g·mol−1
Heat of Formation -926.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 450.26 Å 3
Surface Area 382.44 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
InChIKey KUPQDUIOULXTJZ-JTQLQIEISA-N
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