| Formula |
C20H20N4O6S2 |
| IUPAC Name |
(2s)-2-[[4-(2-amino-6-ethyl-4-oxo-thieno[2,3-d]pyrimidine-3,7-diium-5-yl)sulfanylbenzoyl]amino]pentanedioic acid |
| Molecular Mass |
476.526 g·mol−1 |
| Heat of Formation |
-910.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.80 ± 1.08 D |
| Volume |
525.86 Å 3 |
| Surface Area |
446.44 Å 2 |
| HOMO Energy |
-8.40 ± 0.55 eV |
| LUMO Energy |
-1.02 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RSFXTHIRRXEJJD-NSHDSACASA-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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