N-(3,7-Dihydroxy-24-Oxocholan-24-Yl)-N-Methylglycine

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Properties Simple | Detailed

Formula C27H19NO5
IUPAC Name carbon dioxide; 4-(9,13-dimethylene-2,6-dioxo-14-bicyclo[8.7.0]heptadeca-15,16-dien-3,7,11-triynyl)-n,n-dimethyl-pent-4-en-2-ynamide
Molecular Mass 437.443 g·mol−1
Heat of Formation -1000.6 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 579.88 Å 3
Surface Area 432.01 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
InChIKey YZYBIGOLMMAZFK-GIFGHPPNSA-N
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