Geometry & MOs

Info

ID:

381390

PubChem CID:

134972108

Reduced:

O4C17H22 (1)

Stoich.:

A4B17C22 (1)

Weight, g/mol:

418.199153

ΔHf, kcal/mol:

-157.63

Dipole, Da:

3.1

IP(EA), eV:

 -9.74(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-4-methyl-2-phenyl-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxolane-3-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@H](O[C@@H]1[C@H]2COC(O2)(C)C)C3=CC=CC=C3)C=O

DOS

IR

Vibrations