3-[(2S)-3-[4-(2-Aminoethyl)-1-Piperidinyl]-2-{[(2',4'-Dichloro-3-Biphenylyl)Sulfonyl]Amino}-3-Oxopropyl]Benzenecarboximidamide

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Properties Simple | Detailed

Formula C29H33Cl2N5O3S
IUPAC Name 3-[(2s)-3-[4-(2-aminoethyl)-1-piperidyl]-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-3-oxo-propyl]benzamidine
Molecular Mass 602.575 g·mol−1
Heat of Formation -308.8 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 710.38 Å 3
Surface Area 534.45 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey ZLCINVZAICQINL-MHZLTWQESA-N
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