(3S,6S,9S,13S,17S,18R,18Ar)-17,18-Dichloro-3-Ethyl-6,13-Bis(Hydroxymethyl)-9-Phenyldodecahydropyrrolo[1,2-D][1,4,7,10,13]Pentaazacyclohexadecine-1,4,7,11,14(8H)-Pentone

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Formula C24H31Cl2N5O7
IUPAC Name (3s,7s,10s,13s,16r,17r,18s)-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 -1324.1 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 644.11 Å 3
Surface Area 461.77 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,10s,13s,16r,17r,18s)-17,18-dichloro-13-ethyl-3,10-dimethylol-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
InChIKey PMBVHCCVEPYDSN-WSVRAQSBSA-N
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Elements H C N O Cl