N-[4-(Piperidinosulfonyl)Phenyl]-N'-(3-Pyridylmethyl)Thiourea

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Properties Simple | Detailed

Formula C18H22N4O2S2
IUPAC Name 1-[4-(1-piperidylsulfonyl)phenyl]-3-(3-pyridylmethyl)thiourea
Molecular Mass 390.523 g·mol−1
Heat of Formation -55.6 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 450.2 Å 3
Surface Area 394.21 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • cd 00735
  • oprea1_688878
InChIKey NIADLWNDYLCGNO-UHFFFAOYSA-N
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