Geometry & MOs

Info

ID:

192698

PubChem CID:

78302677

Reduced:

BrCl2O6C24H27 (1)

Stoich.:

AB2C6D24E27 (1)

Weight, g/mol:

980.40418

ΔHf, kcal/mol:

-262.36

Dipole, Da:

3.9

IP(EA), eV:

 -9.99(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-6,8,14-trihydroxy-3-(5-hydroxy-6-methyloxan-2-yl)oxy-18-(4-hydroxyphenyl)-6-methyl-20-oxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),9,17-tetraene-4,12,19-trione

Drug info:

PubChemData

Smile

CC1(C(CCC(=C)C1OC23C(=O)C4=C(C(=CC(=C4)O)O)C(=O)C2(CC(C(O3)(C)C)Cl)Cl)Br)C

DOS

IR

Vibrations