(2R,13S,21R)-22-(Cyclopropylmethyl)-7-Isothiocyanato-14-Oxa-11,22-Diazaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]Pentacosa-4(12),5,7,9,15(25),16,18-Heptaene-2,16-Diol

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Formula C27H18N3O3S
IUPAC Name (2r,13s,21r)-22-(cyclopropylmethyl)-7-isothiocyanato-14-oxa-11,22-diazaheptacyclo[13.9.1.0 1,13 .0 2,21 .0 4,12 .0 5,10 .0 19,25 ]pentacosa-4(12),5,7,9,15(25),16,18-heptaene-2,16-diol
Molecular Mass 464.515 g·mol−1
Heat of Formation 3247.3 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 470.65 Å 3
Surface Area 404.76 Å 2
Point Group Symmetry C1
InChIKey PHACSLSFPGYKLR-QHWQHVLLSA-N
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