Geometry & MOs

Info

ID:

393011

PubChem CID:

135018906

Reduced:

SiO8C26H40 (1)

Stoich.:

AB8C26D40 (1)

Weight, g/mol:

399.20055

ΔHf, kcal/mol:

-400.1

Dipole, Da:

1.32

IP(EA), eV:

 -8.88(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(3aS,4S,6R,6aS)-4-azido-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1([C@@H]([C@H]2[C@@H](CO1)O[C@H](O2)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)OC(=O)C

DOS

IR

Vibrations