Formula |
C14H16N4O3S |
IUPAC Name |
n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(2h-pyrrol-1-ium-2-ylium-1-yl)benzamide |
Molecular Mass |
320.367 g·mol−1 |
Heat of Formation |
-281.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.16 ± 1.08 D |
Volume |
354.36 Å 3 |
Surface Area |
316.11 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
-0.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(1-pyrrolyl)benzamide
- n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzamide
- n-(diaminomethylene)-5-(methylsulfonyl)-4-pyrrol-1-yl-o-toluamide
- n-(diaminomethylene)-5-mesyl-2-methyl-4-pyrrol-1-yl-benzamide
- n-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzamide
- n-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide
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CAS Number(s) |
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InChIKey |
UADMBZFZZOBWBB-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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