Geometry & MOs

Info

ID:

219900

PubChem CID:

85165023

Reduced:

MnO2N3C36H54 (1)

Stoich.:

AB2C3D36E54 (1)

Weight, g/mol:

613.270708

ΔHf, kcal/mol:

4.24

Dipole, Da:

2.62

IP(EA), eV:

 -6.71(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-acetyloxy-2-[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.N#[Mn]

DOS

IR

Vibrations