Geometry & MOs

Info

ID:

328067

PubChem CID:

126691935

Reduced:

N3O3F6C34H35 (1)

Stoich.:

A3B3C6D34E35 (1)

Weight, g/mol:

725.207288

ΔHf, kcal/mol:

-384.35

Dipole, Da:

3.33

IP(EA), eV:

 -8.57(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)C5CCCC5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations