Formula |
C20H18N4OS |
IUPAC Name |
n-[(1s)-2-amino-1-phenyl-ethyl]-5-(3h-pyrrolo[2,3-b]pyridin-1-ium-3-id-4-yl)-3h-thiophen-1-ium-3-ide-2-carboxamide |
Molecular Mass |
362.448 g·mol−1 |
Heat of Formation |
255.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.87 ± 1.08 D |
Volume |
419.04 Å 3 |
Surface Area |
374.57 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
1.87 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TWYNGDRSMHRPSY-MRXNPFEDSA-N |
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Elements |
H
C
S
O
N
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