Formula |
C13H12N4O7S3 |
IUPAC Name |
imino-[4-[(3-isocyanatooxy-3-oxo-prop-1-ynyl)disulfanyl]phenyl]imino-ammonium; 3-sulfonatoprop-1-yn-1-ol |
Molecular Mass |
432.452 g·mol−1 |
Heat of Formation |
1251.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.48 ± 1.08 D |
Volume |
422.0 Å 3 |
Surface Area |
386.15 Å 2 |
HOMO Energy |
-9.37 ± 0.55 eV |
LUMO Energy |
-2.66 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XKSOTQXTPALQMY-JTQLQIEISA-N |
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Elements |
S
C
O
N
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