N-{3-[(4-Carbamimidoylbenzoyl)Amino]Propyl}-1-[(2,4-Dichloro-3-{[(2,4-Dimethyl-8-Quinolinyl)Oxy]Methyl}Phenyl)Sulfonyl]-D-Prolinamide

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Properties Simple | Detailed

Formula C34H36Cl2N6O5S
IUPAC Name (2r)-n-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
Molecular Mass 711.658 g·mol−1
Heat of Formation -546.3 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 797.89 Å 3
Surface Area 655.06 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey XUHBBTKJWIBQMY-HHHXNRCGSA-N
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Elements C Cl H O N S