Formula |
C13H13ClN4O3S2 |
IUPAC Name |
4-[[(6-chloro-5-formyl-2-methylsulfanyl-pyrimidin-4-yl)amino]methyl]benzenesulfonamide |
Molecular Mass |
372.850 g·mol−1 |
Heat of Formation |
-227.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.18 ± 1.08 D |
Volume |
384.54 Å 3 |
Surface Area |
355.41 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-1.53 ± eV |
Point Group Symmetry |
Cs
|
InChIKey |
NPWLBLGDDVPXFE-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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|
Elements |
C
Cl
H
O
N
S
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