Geometry & MOs

Info

ID:

376102

PubChem CID:

134222105

Reduced:

NF2O2C14H17 (1)

Stoich.:

AB2C2D14E17 (1)

Weight, g/mol:

532.288362

ΔHf, kcal/mol:

-182.28

Dipole, Da:

2.85

IP(EA), eV:

 -9.36(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-carboxy-2-hydroxy-3,4,5,6-tetramethyl-6-propan-2-yloxan-3-yl)methoxymethyl]-4-hydroxy-7-(hydroxymethyl)-3,4,5,7-tetramethyl-2,6-dioxabicyclo[3.1.1]heptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CN(C(O2)(C)C)C(=O)C(F)F

DOS

IR

Vibrations