N-[3-{4-[(Diaminomethylene)Amino]Phenyl}-1-Oxo-1-(1-Piperidinyl)-2-Propanyl]-4-Methylbenzenesulfonamide

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Properties Simple | Detailed

Formula C22H29N5O3S
IUPAC Name 2-[4-[(2r)-3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]phenyl]guanidine
Molecular Mass 443.562 g·mol−1
Heat of Formation -384.1 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 536.15 Å 3
Surface Area 402.73 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey NITXQGQPZACTDF-HXUWFJFHSA-N
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