Geometry & MOs

Info

ID:

327974

PubChem CID:

126691582

Reduced:

O3N4F6H32C34 (1)

Stoich.:

A3B4C6D32E34 (1)

Weight, g/mol:

681.26374

ΔHf, kcal/mol:

-337.98

Dipole, Da:

5.72

IP(EA), eV:

 -8.21(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-3-[[6-(azetidin-1-yl)-3-[5-(4-hydroxy-4-methoxy-2-methylbutan-2-yl)-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=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5=CC(=CN5C)C)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations