Geometry & MOs

Info

ID:

380655

PubChem CID:

134971173

Reduced:

O5C18H32 (1)

Stoich.:

A5B18C32 (1)

Weight, g/mol:

977.492951

ΔHf, kcal/mol:

-229.68

Dipole, Da:

1.97

IP(EA), eV:

-9.64(-0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3R,4S)-4-benzamido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,1S)-6-(2-hexyl-1,3-dioxolan-2-yl)-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]-5-oxooxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CC/C=C/C[C@H](C=O)OCOC

DOS

IR

Vibrations