Formula |
C28H36ClN5O3S |
IUPAC Name |
5-chloro-n2-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-n4-(2-isopropylsulfonylphenyl)pyrimidine-2,4-diamine |
Molecular Mass |
558.135 g·mol−1 |
Heat of Formation |
-352.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.66 ± 1.08 D |
Volume |
671.03 Å 3 |
Surface Area |
525.98 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
-1.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VERWOWGGCGHDQE-UHFFFAOYSA-N |
QR Code |
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Elements |
C
Cl
H
O
N
S
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