N~2~-{4-[6-(3,4-Dihydro-1(2H)-Quinolinylcarbonyl)-1H-Benzimidazol-1-Yl]-6-Ethoxy-1,3,5-Triazin-2-Yl}-3-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-N-Methyl-L-Alaninamide

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Properties Simple | Detailed

Formula C36H38N8O5
IUPAC Name (2s)-2-[[4-[6-(3,4-dihydro-2h-quinoline-1-carbonyl)benzimidazol-1-ium-3-id-1-yl]-6-ethoxy-1,3,5-triazin-2-yl]amino]-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-propanamide
Molecular Mass 662.738 g·mol−1
Heat of Formation -390.8 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 791.06 Å 3
Surface Area 606.0 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey IIOQBYZRVQSNSJ-MHZLTWQESA-N
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