Geometry & MOs

Info

ID:

1364

PubChem CID:

4243

Reduced:

O11C36H62 (1)

Stoich.:

A11B36C62 (1)

Weight, g/mol:

670.429213

ΔHf, kcal/mol:

-584.75

Dipole, Da:

4.11

IP(EA), eV:

 -9.24(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C

DOS

IR

Vibrations