[(4E)-7-Chloro-4-[(Sulfooxy)Imino]-3,4-Dihydro-1(2H)-Quinolinyl](2-Methylphenyl)Methanone

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Properties Simple | Detailed

Formula C17H15ClN2O5S
IUPAC Name [(e)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Molecular Mass 394.829 g·mol−1
Heat of Formation -555.6 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 412.04 Å 3
Surface Area 362.84 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • [[7-chloro-1-(2-methylphenyl)carbonyl-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
  • [[7-chloro-1-[(2-methylphenyl)-oxomethyl]-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
InChIKey QQCSUWGQBREWRO-XDJHFCHBSA-N
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