Geometry & MOs

Info

ID:

389006

PubChem CID:

134990886

Reduced:

F2O6C25H40 (1)

Stoich.:

A2B6C25D40 (1)

Weight, g/mol:

423.189317

ΔHf, kcal/mol:

-421.91

Dipole, Da:

7.18

IP(EA), eV:

 -9.95(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(4aR,7S,8R,8aS)-7-acetamido-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)OC2CCCCO2)(F)F

DOS

IR

Vibrations