4-[(2S)-4-[(6-Amino-3-Pyridinyl)Sulfonyl]-2-(1-Propyn-1-Yl)-1-Piperazinyl]-N-Methylbenzenesulfonamide

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Properties Simple | Detailed

Formula C19H23N5O4S2
IUPAC Name 4-[(2s,4r)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]-n-methyl-benzenesulfonamide
Molecular Mass 449.547 g·mol−1
Heat of Formation -208.0 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 506.93 Å 3
Surface Area 409.52 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey AZCZVIWSFGSHOZ-INIZCTEOSA-N
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