Geometry & MOs

Info

ID:

299387

PubChem CID:

117682771

Reduced:

O5C27H36 (1)

Stoich.:

A5B27C36 (1)

Weight, g/mol:

471.224343

ΔHf, kcal/mol:

-176.27

Dipole, Da:

3.13

IP(EA), eV:

 -8.4(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[1-(2,3-dimethylcyclopropyl)-2-(6-fluoro-2,3-dimethylphenyl)-1-oxopropan-2-yl]-4,6-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(C)C(C2=CC(=C(C=C2)O)OC)OC3CCCCC3)OC)CC=C

DOS

IR

Vibrations