Formula |
C13H16BrN5O3S |
IUPAC Name |
4-[[5-bromo-4-[[(1r)-2-hydroxy-1-methyl-ethyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide |
Molecular Mass |
402.267 g·mol−1 |
Heat of Formation |
-274.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.66 ± 1.08 D |
Volume |
389.29 Å 3 |
Surface Area |
356.48 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
-1.20 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MJIALGDLOLWBRQ-MRVPVSSYSA-N |
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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