Hectochlorin

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Properties Simple | Detailed

Formula C27H34Cl2N2O9S2
IUPAC Name hectochlorin
Molecular Mass 665.603 g·mol−1
Heat of Formation -1669.9 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 720.61 Å 3
Surface Area 497.01 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,12r,13r,16r)-12-(4,4-dichloropentyl)-16-(1-hydroxy-1-methylethyl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1~6,9~]henicosa-1(19),6(21),8,17(20)-tetraen
  • 3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1~6,9~]heneicosa-6(21),8,17(20),19-tetraene-2,10,14-trione, 5-(acetyloxy)-12-(4,4-dichloropentyl)-16-(1-hydroxy-1-methylethyl)-4,4,13-trimethyl-,
  • acetic acid 12-(4,4-dichloro-pentyl)-16-(1-hydroxy-1-methyl-ethyl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diaza-tricyclo[15.2.1.1^(6,9)]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl ester
InChIKey USXIYWCPCGVOKF-NOENWEJRSA-N
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