Formula |
C16H18N6O9S |
IUPAC Name |
imino-[4-[(6-isocyanatooxy-6-oxo-hexa-1,4-diynyl)amino]-3-nitro-phenyl]imino-ammonium; 3-sulfonatoprop-1-yn-1-ol |
Molecular Mass |
470.414 g·mol−1 |
Heat of Formation |
1414.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.06 ± 1.08 D |
Volume |
446.28 Å 3 |
Surface Area |
429.79 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UPNUQQDXHCUWSG-ZDUSSCGKSA-N |
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Links |
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Elements |
S
C
O
N
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