Becatecarin

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Formula C33H34Cl2N4O7
IUPAC Name 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Molecular Mass 669.552 g·mol−1
Heat of Formation -963.8 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 727.72 Å 3
Surface Area 558.3 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey JSKFWUPVIZYJMR-UMTCRYILSA-N
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Elements H C N O Cl