Geometry & MOs

Info

ID:

935

PubChem CID:

3551

Reduced:

O15C47H80 (1)

Stoich.:

A15B47C80 (1)

Weight, g/mol:

884.549722

ΔHf, kcal/mol:

-778.18

Dipole, Da:

4.09

IP(EA), eV:

 -9.36(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(C(OC1C2CCC(O2)C3CC(C(O3)C4(CC(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)O)O)C)OC)C)OC)C)C)C)OC7CCC(C(O7)C)OC)(C)O)C

DOS

IR

Vibrations