Geometry & MOs

Info

ID:

44030

PubChem CID:

10500530

Reduced:

NF3O3H18C21 (1)

Stoich.:

AB3C3D18E21 (1)

Weight, g/mol:

389.147452

ΔHf, kcal/mol:

-209.74

Dipole, Da:

4.88

IP(EA), eV:

 -9.68(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3aR,4R,6S,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1CC1N(C/C(=C\C2=CC=C(C=C2)C(F)(F)F)/C(=O)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations