Geometry & MOs

Info

ID:

44972

PubChem CID:

10506957

Reduced:

SN2O4C33H34 (1)

Stoich.:

AB2C4D33E34 (1)

Weight, g/mol:

554.26998

ΔHf, kcal/mol:

-49.55

Dipole, Da:

6.88

IP(EA), eV:

 -8.16(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3,3-diethoxyprop-1-ynyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC(=C32)OC)OC)CCN(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations