Geometry & MOs

Info

ID:

190305

PubChem CID:

77982556

Reduced:

SN4O5C36H46 (1)

Stoich.:

AB4C5D36E46 (1)

Weight, g/mol:

536.253829

ΔHf, kcal/mol:

-176.39

Dipole, Da:

7.9

IP(EA), eV:

 -8.44(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[4-[5-(difluoromethyl)-2-fluorophenyl]-3-(5,5-dimethylcyclopenten-1-yl)phenyl]methoxy]phenyl]hexanoic acid

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)OC)C3=C(C4=C(N3CC1(C)C(=O)N5CCN6CCCC6C5)C=C(C=C4)C(=O)NS(=O)(=O)C)C7CCCCC7

DOS

IR

Vibrations