Geometry & MOs

Info

ID:

403589

PubChem CID:

135060919

Reduced:

O2H18C19 (2)

Stoich.:

A2B18C19 (2)

Weight, g/mol:

494.24571

ΔHf, kcal/mol:

-64.43

Dipole, Da:

2.13

IP(EA), eV:

 -8.7(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] benzoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@](O[C@H](O1)CC)(C2=CC(=C(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations