(2S)-3-(4-Hydroxyphenyl)-2-(Phenazin-2-Ylcarbamothioylamino)Propanoic Acid

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Formula C22H18N4O3S
IUPAC Name (2s)-3-(4-hydroxyphenyl)-2-(phenazin-2-ylcarbamothioylamino)propanoic acid
Molecular Mass 418.468 g·mol−1
Heat of Formation -41.2 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 479.03 Å 3
Surface Area 407.09 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(4-hydroxyphenyl)-2-(phenazin-2-ylthiocarbamoylamino)propionic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2-phenazinylamino)-thioxomethyl]amino]propanoic acid
InChIKey LWXNFAKCYUVWAF-FQEVSTJZSA-N
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