Formula |
C19H21N5O4S |
IUPAC Name |
(2s,3r)-2-amino-n-[3-(4-amino-2-methyl-quinazolin-7-yl)phenyl]sulfonyl-3-hydroxy-butanamide |
Molecular Mass |
415.466 g·mol−1 |
Heat of Formation |
-461.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.58 ± 1.08 D |
Volume |
461.76 Å 3 |
Surface Area |
404.12 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-0.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CTJLRNBGVURJQO-QGHHPUGFSA-N |
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Elements |
H
C
S
O
N
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