Geometry & MOs

Info

ID:

59759

PubChem CID:

24896100

Reduced:

FON2C12H12 (2)

Stoich.:

ABC2D12E12 (2)

Weight, g/mol:

682.245311

ΔHf, kcal/mol:

-52.8

Dipole, Da:

2.16

IP(EA), eV:

 -9.49(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]methyl-ethylamino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations