Geometry & MOs

Info

ID:

437702

PubChem CID:

135226867

Reduced:

SF2N3O3H21C23 (1)

Stoich.:

AB2C3D3E21F23 (1)

Weight, g/mol:

712.491419

ΔHf, kcal/mol:

-105.04

Dipole, Da:

3.35

IP(EA), eV:

 -8.22(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-cyclopentyloxy-2-[4-[2,4-dicyclopentyloxy-5-methyl-5-(2-methylprop-2-enoyloxy)cyclohexyl]cyclohexyl]oxy-1-methylcyclohexyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCS(=N)(=O)CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations