Geometry & MOs

Info

ID:

327972

PubChem CID:

126691574

Reduced:

N5O5F6H25C34 (1)

Stoich.:

A5B5C6D25E34 (1)

Weight, g/mol:

623.221875

ΔHf, kcal/mol:

-375.83

Dipole, Da:

10.57

IP(EA), eV:

 -9.54(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-(azetidin-1-yl)-3-[5-(3-hydroxypropyl)-2-methoxyphenyl]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(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)O)N5C=CC=N5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations