Geometry & MOs

Info

ID:

297682

PubChem CID:

117625576

Reduced:

N3O4F9C26H26 (1)

Stoich.:

A3B4C9D26E26 (1)

Weight, g/mol:

711.285538

ΔHf, kcal/mol:

-601.64

Dipole, Da:

7.5

IP(EA), eV:

 -9.59(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[[3-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]-propylamino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CCO[C@H]1COC[C@@H]1N(C)C2=C(C=C(C=N2)C(F)(F)F)CN3[C@H]([C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations