Geometry & MOs

Info

ID:

173106

PubChem CID:

75597365

Reduced:

O13C38H62 (1)

Stoich.:

A13B38C62 (1)

Weight, g/mol:

550.262541

ΔHf, kcal/mol:

-647.4

Dipole, Da:

4.37

IP(EA), eV:

 -9.79(0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CCC6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)O)C)OC1

DOS

IR

Vibrations