N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(Hydroxymethyl)-4-Oxo-6-Oxa-1-Thia-3-Azaspiro[4.5]Dec-2-Ylidene]Benzamide

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Properties Simple | Detailed

Formula C15H16N2O7S
IUPAC Name (nz)-n-[(5r,6r,7s,8s,9r)-6,7,8-trihydroxy-9-(hydroxymethyl)-4-oxo-10-oxa-1-thia-3-azaspiro[4.5]decan-2-ylidene]benzamide
Molecular Mass 368.362 g·mol−1
Heat of Formation -1042.5 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 386.72 Å 3
Surface Area 339.15 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey FROKMWINLHSJAI-XKJBLICVSA-N
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