1,4-Thiazepane-3,5-Dicarboxylic Acid

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Formula C7H11NO4S
IUPAC Name (3r,5r)-1,4-thiazepane-3,5-dicarboxylic acid
Molecular Mass 205.232 g·mol−1
Heat of Formation -738.7 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 227.35 Å 3
Surface Area 209.69 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey IGBAFIMATACJON-UHNVWZDZSA-N
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