Formula |
C22H18N4O3S |
IUPAC Name |
(2s)-3-(4-hydroxyphenyl)-2-(phenazin-2-ylcarbamothioylamino)propanoic acid |
Molecular Mass |
418.468 g·mol−1 |
Heat of Formation |
-41.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.42 ± 1.08 D |
Volume |
479.03 Å 3 |
Surface Area |
407.09 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-1.69 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-3-(4-hydroxyphenyl)-2-(phenazin-2-ylthiocarbamoylamino)propionic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2-phenazinylamino)-thioxomethyl]amino]propanoic acid
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InChIKey |
LWXNFAKCYUVWAF-FQEVSTJZSA-N |
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DOI |
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Elements |
H
S
C
O
N
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