Formula |
C25H19N3O2S |
IUPAC Name |
(3s)-n-(3-benzoylphenyl)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7a-ylium-7-carboxamide |
Molecular Mass |
425.502 g·mol−1 |
Heat of Formation |
187.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.40 ± 1.08 D |
Volume |
486.8 Å 3 |
Surface Area |
429.14 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
-1.05 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PQQFNXGONTVQLM-VWLOTQADSA-N |
QR Code |
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Links |
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Elements |
H
S
C
O
N
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