Geometry & MOs

Info

ID:

327968

PubChem CID:

126691554

Reduced:

N3O4F6C33H33 (1)

Stoich.:

A3B4C6D33E33 (1)

Weight, g/mol:

619.226961

ΔHf, kcal/mol:

-418.96

Dipole, Da:

2.71

IP(EA), eV:

 -8.66(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclopropyl-2-methoxyphenyl)-4-methylpyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(C5)O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations