Formula |
C15H12N4O2S |
IUPAC Name |
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1h-pyridine-3,5-dicarbonitrile |
Molecular Mass |
312.346 g·mol−1 |
Heat of Formation |
233.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.86 ± 1.08 D |
Volume |
359.35 Å 3 |
Surface Area |
315.7 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-1.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IFNPALBTVAZLMZ-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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