(2S)-2-[(3S,11As)-3-[(4-Hydroxyphenyl)Methyl]-1,4-Dioxo-3,6,11,11A-Tetrahydropyrazino[1,2-B]Isoquinolin-2-Yl]-N-[2-(4-Hydroxyphenyl)Ethyl]Pentanamide

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Formula C32H35N3O5
IUPAC Name (2s)-2-[(3s,11as)-3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-n-[2-(4-hydroxyphenyl)ethyl]pentanamide
Molecular Mass 541.637 g·mol−1
Heat of Formation -709.8 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 655.45 Å 3
Surface Area 496.06 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey GTRCAJUPYYWHLN-AWCRTANDSA-N
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