Geometry & MOs

Info

ID:

328076

PubChem CID:

126691971

Reduced:

F2N3O5C31H31 (1)

Stoich.:

A2B3C5D31E31 (1)

Weight, g/mol:

607.226961

ΔHf, kcal/mol:

-213.06

Dipole, Da:

3.29

IP(EA), eV:

 -9.05(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-(azetidin-1-yl)-3-(2-methoxy-5-propylphenyl)pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)O)C3=C(N=C(C=C3)N4CCC4)CN5[C@H]([C@H](OC5=O)C6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations