Formula |
C12H22N4O7P2S |
IUPAC Name |
2-[3-[3-[(2z)-2-cyanoiminoaziridin-1-yl]prop-2-ynyl]-4-methyl-2h-thiazol-5-yl]ethynyl (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate |
Molecular Mass |
428.338 g·mol−1 |
Heat of Formation |
631.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.19 ± 1.08 D |
Volume |
370.35 Å 3 |
Surface Area |
320.2 Å 2 |
HOMO Energy |
-9.63 ± 0.55 eV |
LUMO Energy |
-2.16 ± eV |
Point Group Symmetry |
C1
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InChIKey |
QMLRZDVHAMEWFV-KCJUWKMLSA-N |
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Links |
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Elements |
P
S
C
O
N
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