Formula |
C19H23N5O4S2 |
IUPAC Name |
4-[(2s,4r)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]-n-methyl-benzenesulfonamide |
Molecular Mass |
449.547 g·mol−1 |
Heat of Formation |
-208.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.14 ± 1.08 D |
Volume |
506.93 Å 3 |
Surface Area |
409.52 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AZCZVIWSFGSHOZ-INIZCTEOSA-N |
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Elements |
H
C
S
O
N
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