Formula |
C13H12BrN3O6S |
IUPAC Name |
3-[[3-(2-amino-2-carboxy-ethyl)-5-bromo-2,6-dioxo-pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid |
Molecular Mass |
418.220 g·mol−1 |
Heat of Formation |
-872.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.81 ± 1.08 D |
Volume |
395.5 Å 3 |
Surface Area |
337.7 Å 2 |
HOMO Energy |
-9.26 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KKTBJRLDYITGOV-QMMMGPOBSA-P |
QR Code |
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Links |
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Downloads |
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Elements |
C
H
O
N
S
Br
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