{(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(Propylsulfanyl)-2-Pyridinyl]-3-Piperidinyl}Acetic Acid

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Properties Simple | Detailed

Formula C22H33N3O3S
IUPAC Name 2-[(3s)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]acetic acid
Molecular Mass 419.581 g·mol−1
Heat of Formation -638.7 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 521.37 Å 3
Surface Area 439.27 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey NCDZABJPWMBMIQ-INIZCTEOSA-N
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