[(2S)-2-Carboxy-2-[[2-Formyl-7-(Methoxycarbonylamino)-1,5,6,8-Tetrahydroindolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl]Amino]-1,1-Dimethyl-Ethyl]-Hydroxy-Oxido-Sulfonium

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Properties Simple | Detailed

Formula C16H29N3O7S+
IUPAC Name [(2s)-2-carboxy-2-[[2-formyl-7-(methoxycarbonylamino)-1,5,6,8-tetrahydroindolizine-1,2,3,5,6,7,8,8a-octaid-3-yl]amino]-1,1-dimethyl-ethyl]-hydroxy-oxido-sulfonium
Molecular Mass 407.482 g·mol−1
Heat of Formation -980.2 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 435.83 Å 3
Surface Area 369.37 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey PJKPPGWVJRKHLL-RFMXUXEOSA-O
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