Formula |
C18H20ClN5OS |
IUPAC Name |
(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(4-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol |
Molecular Mass |
389.902 g·mol−1 |
Heat of Formation |
145.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.66 ± 1.08 D |
Volume |
447.01 Å 3 |
Surface Area |
393.9 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-0.79 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MZZBHZOHYGEGEE-DOMZBBRYSA-N |
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Elements |
C
Cl
H
O
N
S
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