Geometry & MOs

Info

ID:

381559

PubChem CID:

134972331

Reduced:

O5C17H22 (1)

Stoich.:

A5B17C22 (1)

Weight, g/mol:

519.283217

ΔHf, kcal/mol:

-163.4

Dipole, Da:

3.0

IP(EA), eV:

 -8.69(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[[(4S,5S)-4-formyl-5-[(1R)-1-[(4-methoxyphenyl)methoxy]prop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@@H](O1)[C@@H](C=C)OCC2=CC=C(C=C2)OC)C=O)C

DOS

IR

Vibrations