Geometry & MOs

Info

ID:

406731

PubChem CID:

135078463

Reduced:

N2F3O13C28H33 (1)

Stoich.:

A2B3C13D28E33 (1)

Weight, g/mol:

301.152537

ΔHf, kcal/mol:

-704.12

Dipole, Da:

4.53

IP(EA), eV:

 -9.04(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(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]ethanimine oxide

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=NC2=CC=CC=C2)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations