Geometry & MOs

Info

ID:

189807

PubChem CID:

77907032

Reduced:

NO5F6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

641.257592

ΔHf, kcal/mol:

-534.85

Dipole, Da:

9.55

IP(EA), eV:

 -8.94(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(CCC(C2)(C)C)C3=C(C=CC(=C3)CC(C)(C)C(=O)OC)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations