6-(4-Fluorophenyl)-N,N-Dimethyl-3-{[(3R)-3-(3-Pyridinyl)-1H-Pyrrolo[1,2-C][1,3]Thiazol-7-Yl]Carbonyl}-1H-Indole-1-Carboxamide

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Properties Simple | Detailed

Formula C27H27FN4O2S
IUPAC Name n,n-dimethyl-6-[(e)-1-methylprop-1-enyl]-3-[(3r)-3-(3-pyridyl)-3,7-dihydro-1h-pyrrolo[1,2-c]thiazol-4-ium-7-carbonyl]-5h-indol-1-ium-1-carboxamide fluoride
Molecular Mass 490.592 g·mol−1
Heat of Formation 57.4 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 583.39 Å 3
Surface Area 495.81 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey YGUVFPOGHIKVPP-MUUNZHRXSA-N
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