Geometry & MOs

Info

ID:

413264

PubChem CID:

135086211

Reduced:

LiON2C5H7 (1)

Stoich.:

ABC2D5E7 (1)

Weight, g/mol:

672.350962

ΔHf, kcal/mol:

-23.7

Dipole, Da:

12.03

IP(EA), eV:

-7.81(0.86)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

dimethyl (1S,10R,12S)-3-ethoxy-7-[(E)-oct-6-enyl]-17-oxo-10-[2-[(E)-pent-3-enyl]-1,3-dioxolan-2-yl]-4,11,18-trioxahexacyclo[10.4.2.01,5.05,12.06,15.08,13]octadecane-14,15-dicarboxylate

Drug info:

PubChemData

Smile

[Li+].COC/C(=C\C#N)/[NH-]

DOS

IR

Vibrations