N-[(4S,8E,11S)-4-{(1R)-1-Hydroxy-2-[(3-Isopropylbenzyl)Amino]Ethyl}-2,13-Dioxo-11-Phenyl-6-Oxa-3,12-Diazabicyclo[12.3.1]Octadeca-1(18),8,14,16-Tetraen-16-Yl]-N-Methylmethanesulfonamide

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Properties Simple | Detailed

Formula C35H44N4O6S
IUPAC Name n-[(4s,6e,11s)-11-[(1r)-1-hydroxy-2-[(3-isopropylphenyl)methylamino]ethyl]-2,13-dioxo-4-phenyl-9-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),6,14,16-tetraen-16-yl]-n-methyl-methanesulfonamide
Molecular Mass 648.812 g·mol−1
Heat of Formation -770.8 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 785.72 Å 3
Surface Area 647.99 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey XYJDOUBLYLOJJL-YNYOQIOBSA-N
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