(7-{[(4-Fluorophenyl)Sulfonyl](Methyl)Amino}-6,7,8,9-Tetrahydropyrido[1,2-A]Indol-10-Yl)Acetic Acid

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Formula C21H21FN2O4S
IUPAC Name 2-[(7r)-7-[(4-fluorophenyl)sulfonyl-methyl-amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-5-ium-9a-ylium-10-yl]acetic acid
Molecular Mass 416.466 g·mol−1
Heat of Formation -642.5 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 463.04 Å 3
Surface Area 385.38 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey JTCAGRAKUAAYDY-OAHLLOKOSA-N
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