1-{(2R,6S,14S,22S,25R)-25-[(2S)-3,3-Dimethyl-2-Oxiranyl]-15-Methyl-1,3,13,15-Tetraazaheptacyclo[18.4.1.0~2,6~.0~6,22~.0~7,12~.0~14,22~.0~16,21~]Pentacosa-7,9,11,16,18,20-Hexaen-3-Yl}-1-Butanone

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Formula C27H23N4O2
IUPAC Name 1-{(2r,6s,14s,22s,25r)-25-[(2s)-3,3-dimethyl-2-oxiranyl]-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0 2,6 .0 6,22 .0 7,12 .0 14,22 .0 16,21 ]pentacosa-7,9,11,16,18,20-hexaen-3-yl}-1-butanone
Molecular Mass 435.497 g·mol−1
Heat of Formation -50.8 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 583.62 Å 3
Surface Area 440.37 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
InChIKey RMGREFLDMCGIFA-WFMSWEOJSA-N
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