N-{3-[6-({4-[(2S)-1,4-Dimethyl-3-Oxo-2-Piperazinyl]Phenyl}Amino)-4-Methyl-5-Oxo-4,5-Dihydro-2-Pyrazinyl]-2-Methylphenyl}-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxamide

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Properties Simple | Detailed

Formula C33H37N6O3S
IUPAC Name n-[3-[5-[4-[(1s,2s)-1,4-dimethyl-3-oxo-piperazin-2-yl]anilino]-1-methyl-6-oxo-2h-pyrazin-4-ium-2-id-3-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
Molecular Mass 597.750 g·mol−1
Heat of Formation -110.6 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 707.62 Å 3
Surface Area 598.72 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey CDOOFZZILLRUQH-LJAQVGFWSA-N
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