Cyclochlorotine

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Formula C24H31Cl2N5O7
IUPAC Name (3r,7r,10s,13r,16r,17s,18r)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Molecular Mass 572.438 g·mol−1
Heat of Formation -1354.5 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 624.19 Å 3
Surface Area 451.26 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey PMBVHCCVEPYDSN-KXPAZRKESA-N
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Elements H C N O Cl