Geometry & MOs

Info

ID:

401196

PubChem CID:

135050550

Reduced:

ON2C30H32 (1)

Stoich.:

AB2C30D32 (1)

Weight, g/mol:

414.134839

ΔHf, kcal/mol:

45.4

Dipole, Da:

2.16

IP(EA), eV:

 -8.56(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] phenylmethanesulfonate

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C3=CC=CC=C3C=C2)C4=C(CN1C=N[C@@H](COC)C(C)C)C=CC5=CC=CC=C54

DOS

IR

Vibrations