Geometry & MOs

Info

ID:

390271

PubChem CID:

134998181

Reduced:

SO3C14H24 (1)

Stoich.:

AB3C14D24 (1)

Weight, g/mol:

498.200216

ΔHf, kcal/mol:

-176.85

Dipole, Da:

2.37

IP(EA), eV:

 -9.43(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCC(C1=O)(C)CO)C(=O)SC(C)(C)C

DOS

IR

Vibrations