Geometry & MOs

Info

ID:

328064

PubChem CID:

126691925

Reduced:

F2O3N5C24H27 (1)

Stoich.:

A2B3C5D24E27 (1)

Weight, g/mol:

577.238827

ΔHf, kcal/mol:

-121.27

Dipole, Da:

1.74

IP(EA), eV:

 -8.96(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,4-difluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(CF)C(C1=C2C(=CC(=C1)C3=C(ON=C3C)C)NC(=O)N2)(C4=NC=CN=C4)OC)F

DOS

IR

Vibrations