Formula |
C20H25N3O5S2 |
IUPAC Name |
s-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate |
Molecular Mass |
451.560 g·mol−1 |
Heat of Formation |
-670.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.34 ± 1.08 D |
Volume |
520.85 Å 3 |
Surface Area |
373.05 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
2.06 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KXWBUKMWZKTHCV-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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