Formula |
C17H18FN5O2S2 |
IUPAC Name |
2-[[2-[3-(2-fluoroethoxy)-4-methoxy-phenyl]thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine |
Molecular Mass |
407.486 g·mol−1 |
Heat of Formation |
-130.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.45 ± 1.08 D |
Volume |
446.18 Å 3 |
Surface Area |
413.9 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
2.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZWMGIFUNVAXYGP-UHFFFAOYSA-N |
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Elements |
C
F
H
O
N
S
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