Geometry & MOs

Info

ID:

328104

PubChem CID:

126692074

Reduced:

N3O5F6C34H35 (1)

Stoich.:

A3B5C6D34E35 (1)

Weight, g/mol:

643.167253

ΔHf, kcal/mol:

-455.69

Dipole, Da:

4.33

IP(EA), eV:

 -8.56(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-3-[[6-(azetidin-1-yl)-3-[2-chloro-5-(3,3-dihydroxypropyl)phenyl]pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CC(C5)CC(=O)O)OC)O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations