2-(Ethyl{4-[(2-Ethyl-5,7-Dimethyl-3H-Imidazo[4,5-B]Pyridin-3-Yl)Methyl]Phenyl}Amino)-2-Phenyl-N-(Phenylsulfonyl)Acetamide

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Properties Simple | Detailed

Formula C33H35N5O3S
IUPAC Name (2r)-2-[n-ethyl-4-[[2-ethyl-5,7-di(methyl)imidazo[4,5-b]pyridine-1,4-diium-3-yl]methyl]anilino]-2-phenyl-n-phenylsulfonyl-acetamide
Molecular Mass 581.728 g·mol−1
Heat of Formation 3120.4 ± 16.7 kJ·mol−1
Dipole Moment 13.33 ± 1.08 D
Volume 672.86 Å 3
Surface Area 532.14 Å 2
HOMO Energy -6.73 ± 0.55 eV
LUMO Energy -4.36 ± eV
Point Group Symmetry C1
InChIKey NTLHXKVLMJLWSU-WJOKGBTCSA-N
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