N-(4-Acetamidophenyl)-2-(1H-Benzotriazol-1-Yl)-N-{2-[(2-Methyl-2-Butanyl)Amino]-1-(1-Methyl-1H-Pyrrol-2-Yl)-2-Oxoethyl}Acetamide

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Properties Simple | Detailed

Formula C28H33N7O3
IUPAC Name (2r)-2-(4-acetamido-n-[2-(benzotriazol-1-ium-2-id-1-yl)acetyl]anilino)-n-(1,1-dimethylpropyl)-2-(1-methylpyrrol-2-yl)acetamide
Molecular Mass 515.607 g·mol−1
Heat of Formation -78.6 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 618.42 Å 3
Surface Area 489.71 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey BCIIGGMNYNWRQK-AREMUKBSSA-N
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