N-[(3R,4R,4As,7R,7Ar,12Bs)-3-(Cyclopropylmethyl)-4A,9-Dihydroxy-1,2,4,5,6,7,7A,13-Octahydro-4,12-Methanobenzofuro[3,2-E]Isoquinoline-7-Yl]-2-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Acetamide

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Formula C29H32N6O7
IUPAC Name n-[(3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
Molecular Mass 576.600 g·mol−1
Heat of Formation -198.3 ± 16.7 kJ·mol−1
Dipole Moment 10.96 ± 1.08 D
Volume 649.88 Å 3
Surface Area 505.9 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey NYVVPEURAYVQLJ-LOSGQLGCSA-N
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