(2Z,4E)-6-Amino-2-[(2-Formyl-5H-Indolizin-4-Ium-5-Ylium-3-Yl)Amino]-3-(Hydrosulfonylmethyl)-6-Oxo-Hexa-2,4-Dienoic Acid

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Properties Simple | Detailed

Formula C16H24N3O6S+
IUPAC Name (2z,4e)-6-amino-2-[(2-formyl-5h-indolizin-4-ium-5-ylium-3-yl)amino]-3-(hydrosulfonylmethyl)-6-oxo-hexa-2,4-dienoic acid
Molecular Mass 386.443 g·mol−1
Heat of Formation -677.4 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 405.46 Å 3
Surface Area 346.62 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey CFIPEYIXXUXEED-IBXIYJDRSA-O
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