4-({1-(4-Ethylphenyl)-2-Methyl-5-[4-(Methylsulfanyl)Phenyl]-1H-Pyrrol-3-Yl}Methyl)Thiomorpholine

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Properties Simple | Detailed

Formula C25H30N2S2
IUPAC Name 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
Molecular Mass 422.649 g·mol−1
Heat of Formation 232.8 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 538.97 Å 3
Surface Area 433.86 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey NFXQXSBKNGTIEG-UHFFFAOYSA-N
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Elements H C S N