(4-Cyclohexyl-1-Piperazinyl){4-[(S)-(4-Methoxyphenyl)Sulfinyl]Phenyl}Acetonitrile

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Properties Simple | Detailed

Formula C25H31N3O2S
IUPAC Name (2s)-2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(r)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile
Molecular Mass 437.598 g·mol−1
Heat of Formation 44.7 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 534.58 Å 3
Surface Area 455.5 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey BFELQLHLUNQIHL-OOWIMERYSA-N
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