Formula |
C18H13N3O5S2 |
IUPAC Name |
4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid |
Molecular Mass |
415.443 g·mol−1 |
Heat of Formation |
-332.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.98 ± 1.08 D |
Volume |
443.93 Å 3 |
Surface Area |
370.84 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-1.70 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-(4-isothiocyanatephenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
- 4-(4-isothiocyanatophenoxy)-3-(1-pyrrolyl)-5-sulfamoylbenzoic acid
- 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid
- 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid
- 4-isothiocyanate-piretanide
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CAS Number(s) |
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InChIKey |
LHAQGDNTMHFRAI-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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