Geometry & MOs

Info

ID:

15152

PubChem CID:

430838

Reduced:

O8C33H50 (1)

Stoich.:

A8B33C50 (1)

Weight, g/mol:

574.350569

ΔHf, kcal/mol:

-143.55

Dipole, Da:

5.99

IP(EA), eV:

-9.49(-0.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,7-dihydroxy-8-(hydroxymethyl)-2,4,18-trimethyl-16-prop-1-en-2-yl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC12OC3C4C5C(O5)(C(C6(C(=O)C(=CC6(C4(O1)C(CC3(O2)C(=C)C)C)C)C)O)O)CO

DOS

IR

Vibrations